643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:As-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsHH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	As(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsHH){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	As(C[6a]C[6a,6a]C[6a])(H)2	124.8340	0.000	1	124.8340	0.000	1	124.8340	0.000	1	124.8340	0.000	1	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Br)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Br){2|C<3>,2|C<4>,2|H<1>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	124.1750	0.000	2	124.1750	0.000	2	124.5220	0.790	7	122.7624	5.884	15	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	As(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	As(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	124.2245	0.598	2	124.2245	0.357	2	124.5220	0.790	7	122.7624	5.884	15	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	As(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	As(C[6a]C[6a,6a]C[6a])3	124.9517	1.306	3	124.9517	1.706	3	124.5220	0.790	7	122.7624	5.884	15	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]H)	As(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]H){2|C<3>,4|H<1>}	As(C[6a]C[6a,6a]C[6a])3	118.8287	0.195	3	118.8287	0.038	3	121.2228	5.284	8	122.7624	5.884	15	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]N)	As(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]N){2|C<3>,4|H<1>}	As(C[6a]C[6a,6a]C[6a])3	121.9303	1.638	3	121.9303	2.682	3	121.2228	5.284	8	122.7624	5.884	15	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]S)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]S){2|C<3>,4|H<1>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	123.5870	0.000	1	123.5870	0.000	1	121.2228	5.284	8	122.7624	5.884	15	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Se)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	123.9180	0.000	1	123.9180	0.000	1	121.2228	5.284	8	122.7624	5.884	15	122.8919	5.760	16	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6]2)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	120.5690	0.352	2	120.5690	0.124	2	120.5690	0.124	2	120.0752	13.450	5	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2)	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	As(C[6a]C[6a]N[6a])3	119.7460	5.141	3	119.7460	26.431	3	119.7460	26.431	3	120.0752	13.450	5	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsHH)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H)	As(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsHH){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])(H)2	116.2740	0.000	1	116.2740	0.000	1	116.2740	0.000	1	118.6283	45.650	3	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:I-1:I-1:	C[6a](C[6a]C[6a]H)2(AsII)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(I)2	C[6a](C[6a]C[6a]H)2(AsII){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a]2)(I)2	119.8055	9.110	2	119.8055	82.986	2	119.8055	82.986	2	118.6283	45.650	3	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(AsOO)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OAs)2	C[6a](C[6a]C[6a]H)2(AsOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	As(C[6a]C[6a]2)(OAs)2	120.2428	1.115	4	120.2428	1.243	4	120.5357	2.531	10	120.5357	2.531	10	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(AsOO)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(OC[6a])2	C[6a](C[6a]C[6a]H)2(AsOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(OC[6a])2	120.0225	3.566	2	120.0225	12.716	2	120.5357	2.531	10	120.5357	2.531	10	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(AsOO)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H)	As(C[6a]C[6a]2)(OAs)2	C[6a](C[6a]C[6a]H)2(AsOO){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	As(C[6a]C[6a]2)(OAs)2	121.0853	1.191	4	121.0853	1.419	4	120.5357	2.531	10	120.5357	2.531	10	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:I-1:	C[6a](C[6a]C[6a]H)2(AsC[6]I)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6a](C[6a]C[6a]H)2(AsC[6]I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(C[6]C[6]2)(I)	120.2005	6.939	2	120.2005	48.147	2	120.2005	48.147	2	120.0745	16.071	4	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Br)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)2(Br)	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	120.0745	16.071	4	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Cl)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)2(Cl)	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	120.0745	16.071	4	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O-2:	C[6a](C[6a]C[6a]H)2(AsC[6]O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	C[6a](C[6a]C[6a]H)2(AsC[6]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	119.9553	1.599	4	119.9553	2.557	4	119.9553	2.557	4	120.1308	9.001	24	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]C)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(AsC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(CC)	120.1047	5.006	4	120.1047	25.060	4	120.1047	25.060	4	120.1308	9.001	24	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]O)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(OAs)	C[6a](C[6a]C[6a]H)2(AsC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(OAs)	120.0447	0.554	4	120.0447	0.307	4	120.0447	0.307	4	120.1308	9.001	24	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]S)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(SAs)	C[6a](C[6a]C[6a]H)2(AsC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(SAs)	120.1953	2.161	4	120.1953	4.671	4	120.2267	11.181	12	120.1308	9.001	24	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6a]C[6a]H)2(AsC[6a]S)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(SC[6a])	C[6a](C[6a]C[6a]H)2(AsC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(SC[6a])	120.2425	3.946	8	120.2425	15.567	8	120.2267	11.181	12	120.1308	9.001	24	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.5700	0.000	2	117.5700	0.000	2	118.5308	3.488	15	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H)	As(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	116.8720	0.342	2	116.8720	0.117	2	118.5308	3.488	15	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H)	As(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])3	117.1750	1.075	3	117.1750	1.155	3	118.5308	3.488	15	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.5600	0.000	1	117.2710	0.167	2	118.5308	3.488	15	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	116.9820	0.000	1	117.2710	0.167	2	118.5308	3.488	15	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])3	119.5580	0.849	3	120.5018	1.378	6	118.5308	3.488	15	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(AsC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a,6a]C[6a])3	121.4457	0.228	3	120.5018	1.378	6	118.5308	3.488	15	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]F)(F)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(AsC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]F)(F){1|Pt<6>,1|C<3>,1|F<1>}	As(C[6a]C[6a]2)3	124.5880	1.226	5	124.5880	1.503	5	124.5880	1.503	5	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:As-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]As)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(AsC[6a]2)	C[6a](C[6a]C[6a]H)2(AsC[6a]As){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(AsC[6a]2)	120.3842	4.846	4	120.3842	23.484	4	120.3842	23.484	4	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(AsC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	As(C[6a]C[6a]2)3	122.8930	0.000	1	123.6320	1.092	2	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(AsC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a]2)3	124.3710	0.000	1	123.6320	1.092	2	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)3	117.8270	1.154	4	117.8270	1.331	4	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(AsC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>}	As(C[6a]C[6a]2)3	121.4840	0.000	1	121.4840	0.000	1	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	As(C[6a]C[6a]2)3	124.4424	1.536	10	124.4424	2.358	10	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	As(C[6a]C[6a]2)3	122.1123	1.089	3	122.1123	1.185	3	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.5220	3.214	8	120.5220	10.327	8	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	121.5360	5.206	2	121.5360	27.100	2	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	As(C[6a]C[6a]2)3	121.0023	2.396	6	120.6557	12.327	63	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3	120.5208	3.537	45	120.6557	12.327	63	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	As(C[6a]C[6a]2)3	120.9882	4.070	12	120.6557	12.327	63	121.0685	11.721	93	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]C)(I)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(AsC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]C)(I){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.8664	11.621	118	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(AsC[6a]C)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(AsC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(CCHH)	120.6819	3.339	8	120.6819	11.152	8	120.6819	11.152	8	120.4184	16.296	12	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(AsC[6a]P)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)2(PC[6a]3)	C[6a](C[6a]C[6a]H)2(AsC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(PC[6a]3)	119.8915	5.760	4	119.8915	33.176	4	119.8915	33.176	4	120.4184	16.296	12	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-4:C-4:	C[6a](C[6a]C[6a]H)2(AsAsC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(AsC[6a]3)(CH3)	C[6a](C[6a]C[6a]H)2(AsAsC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(AsC[6a]3)(CH3)	119.8225	4.581	2	119.8225	20.989	2	120.2647	15.751	6	120.3921	14.508	21	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-4:C-4:	C[6a](C[6a]C[6a]H)2(AsAsC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(AsC[6a]CC)(CH3)	C[6a](C[6a]C[6a]H)2(AsAsC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(AsC[6a]CC)(CH3)	120.4857	4.366	4	120.4857	19.060	4	120.2647	15.751	6	120.3921	14.508	21	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(AsCC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(AsCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|As<3>,1|C<3>,1|H<1>}	As(C[6a]C[6a]2)(CH3)2	120.7583	0.674	3	120.7583	0.454	3	120.6676	19.418	7	120.3921	14.508	21	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(AsCC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(AsCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(CC[6a]HH)2	120.5995	6.206	4	120.5995	38.518	4	120.6676	19.418	7	120.3921	14.508	21	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]H)2(AsCP)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(PC[6a]3)(CH3)	C[6a](C[6a]C[6a]H)2(AsCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(PC[6a]3)(CH3)	120.2945	2.986	4	120.2945	8.915	4	120.2468	13.444	8	120.3921	14.508	21	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:C-4:	C[6a](C[6a]C[6a]H)2(AsCP)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[6a]C[6a]2)(PC[6a]CC)(CH3)	C[6a](C[6a]C[6a]H)2(AsCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(PC[6a]CC)(CH3)	120.1990	4.738	4	120.1990	22.447	4	120.2468	13.444	8	120.3921	14.508	21	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:1:	4:3:3:	As-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](AsC[6a]C[5])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H)	As(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](AsC[6a]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	As(C[5]C[5]2Fe)(C[6a]C[6a]2)2	120.9423	3.721	4	120.9423	13.845	4	120.9423	13.845	4	120.9423	13.845	4	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC)	As(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)2(Cl)	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3	116.9572	1.571	10	116.9572	2.467	10	116.9572	2.467	10	116.9572	2.467	10	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-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)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]2)(C[6a]C[6a]H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(AsC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<3>,1|C<4>,2|H<1>,3|C<3>}	As(C[6a]C[6a]2)3	118.5880	0.000	1	117.2800	3.422	2	117.2800	3.422	2	118.3316	2.807	5	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-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)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]2)(C[6a]C[6a]H)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(AsC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]2)(C[6a]C[6a]H){1|As<3>,3|C<3>,3|H<1>}	As(C[6a]C[6a]2)3	115.9720	0.000	1	117.2800	3.422	2	117.2800	3.422	2	118.3316	2.807	5	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(PC[6a]2)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3	119.0327	1.436	3	119.0327	2.061	3	119.0327	2.061	3	118.3316	2.807	5	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(AsCC)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(AsCC)	As(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(AsCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(AsCC){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(CH3)2	120.1813	0.607	3	120.1813	0.369	3	120.1813	0.369	3	120.1813	0.369	3	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]C)2(AsCl2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	As(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]C)2(AsCl2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)(Cl)2	120.0515	9.828	2	120.0515	96.591	2	120.0515	96.591	2	120.0515	96.591	2	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:As-2:As-2:	C[6a](C[6a]C[6a]C)2(AsAs2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH)	As(C[6a]C[6a]2)(AsC[6a])2	C[6a](C[6a]C[6a]C)2(AsAs2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)(AsC[6a])2	120.1585	11.133	2	120.1585	123.953	2	120.1585	123.953	2	120.1585	123.953	2	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Br)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3)	As(C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)2(Br)	121.5700	0.000	1	121.5700	0.000	1	121.5420	67.849	3	120.9028	36.595	13	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]C)2(AsC[6a]Br)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3)	As(C[6a]C[6a]2)2(Br)	C[6a](C[6a]C[6a]C)2(AsC[6a]Br){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)2(Br)	121.5280	11.649	2	121.5280	135.696	2	121.5420	67.849	3	120.9028	36.595	13	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Cl)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3)	As(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)2(Cl)	121.9040	0.000	1	121.9040	0.000	1	120.7110	33.538	10	120.9028	36.595	13	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3)	As(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)2(Cl)	121.6070	11.853	2	121.6070	140.482	2	120.7110	33.538	10	120.9028	36.595	13	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	As(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<2>,1|C<3>,1|H<1>}	As(C[6a]C[6a]2)2(Cl)	119.1500	0.000	1	120.2846	26.177	7	120.7110	33.538	10	120.9028	36.595	13	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	As(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)2(AsC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]2)2(Cl)	120.4737	5.578	6	120.2846	26.177	7	120.7110	33.538	10	120.9028	36.595	13	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3	120.4640	1.037	3	120.4640	1.076	3	120.2963	52.498	24	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)3	123.1940	0.000	1	123.1940	0.000	1	120.2963	52.498	24	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH)	As(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)3	119.8386	7.591	12	119.8386	57.624	12	120.2963	52.498	24	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(AsC[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(AsC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	As(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.5579	8.943	8	120.5579	79.985	8	120.2963	52.498	24	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(AsC[6a]N)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(C[6a]C[6a]2)2(NC[6a]Ge)	C[6a](C[6a]C[6a]C)2(AsC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)2(NC[6a]Ge)	120.5530	8.777	4	120.5530	77.042	4	120.4381	44.990	20	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(AsC[6a]N)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(C[6a]C[6a]2)2(NC[6a]Ge[4])	C[6a](C[6a]C[6a]C)2(AsC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)2(NC[6a]Ge[4])	120.2785	6.868	4	120.2785	47.165	4	120.4381	44.990	20	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(AsC[6a]N)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(C[6a]C[6a]2)2(NC[6a]In)	C[6a](C[6a]C[6a]C)2(AsC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)2(NC[6a]In)	120.1620	8.627	4	120.1620	74.427	4	120.4381	44.990	20	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(AsC[6a]N)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(C[6a]C[6a]2)2(NC[6a]Pb)	C[6a](C[6a]C[6a]C)2(AsC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	As(C[6a]C[6a]2)2(NC[6a]Pb)	120.5985	6.074	8	120.5985	36.893	8	120.4381	44.990	20	120.3608	47.965	44	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	4:3:3:	As-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[4]-4:C[6a]-3:C[6a]-3:	C[6a](AsC[6a]Ge[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(Ge[4]N[4]2Cl)(C[6a]C[6a]2)2	C[6a](AsC[6a]Ge[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	As(Ge[4]N[4]2Cl)(C[6a]C[6a]2)2	119.7057	6.543	4	119.7057	42.805	4	119.7057	42.805	4	120.0211	39.301	8	120.4025	19.139	289	120.5331	18.725	305
643	643	730	0:SP2_SP2_SP2	C[6a]	C[6a]	As	3:3:3:	3:3:4:	4:3:3:	As-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a](AsC[6a]Si[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	As(Si[4]N[4]2N)(C[6a]C[6a]2)2	C[6a](AsC[6a]Si[4])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	As(Si[4]N[4]2N)(C[6a]C[6a]2)2	120.3365	6.974	4	120.3365	48.633	4	120.3365	48.633	4	120.0211	39.301	8	120.4025	19.139	289	120.5331	18.725	305
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4,5]	4:3:3:	3:3:1:	3:3:3:4:	B[4,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	S[4,5]-3:C[4]-3:C[6a]-3:C[5]-4:	C[6a](B[4,5]S[4,5]C[4]C[5])(C[6a]C[6a]F)2	C[6a](C[6a]B[4,5]C[6a])(C[6a]C[6a]F)(F)	B[4,5](S[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](B[4,5]S[4,5]C[4]C[5])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]B[4,5]C[6a])(C[6a]C[6a]F)(F){1|C<4>,1|S<3>,2|C<3>,2|F<1>}	B[4,5](S[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<4>,2|F<1>,5|C<3>}	123.1355	3.710	2	123.1355	13.766	2	123.1355	13.766	2	123.1355	13.766	2	122.2807	6.527	4	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4,5]	4:3:3:	3:3:1:	4:3:3:2:	B[4,5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:N[5,6]-3:C[6a]-3:O[4]-2:	C[6a](B[4,5]C[4,5]N[5,6]O[4])(C[6a]C[6a]H)2	C[6a](C[6a]B[4,5]C[6a])(C[6a]C[6a]H)(H)	B[4,5](C[4,5]C[6a]C[4]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[4]C[4])	C[6a](B[4,5]C[4,5]N[5,6]O[4])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]B[4,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	B[4,5](C[4,5]C[6a]C[4]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[4]C[4]){1|O<1>,3|H<1>,7|C<3>}	121.4260	1.701	2	121.4260	2.894	2	121.4260	2.894	2	121.4260	2.894	2	122.2807	6.527	4	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4,6]	4:3:3:	3:3:1:	3:4:3:3:	B[4,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,6]-3:P[4]-4:C[6]-3:C[6a]-3:	C[6a](B[4,6]C[4,6]C[6]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]B[4,6]C[6a])(C[6a]C[6a]F)(F)	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](B[4,6]C[4,6]C[6]P[4])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]B[4,6]C[6a])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,1|Si<4>,2|F<1>}	123.2850	1.212	2	123.2850	1.469	2	123.2850	1.469	2	123.2850	1.469	2	123.2850	1.469	2	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	3:3:4:	3:3:1:	3:3:3:3:	C[6a]-3:C[6a]-3:B[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:N-3:	C[6a](C[6a]C[6a]H)2(B[4]N[4]2N)	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H)	B[4](C[6a]C[6a]2)(N[4]C[4]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(B[4]N[4]2N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	B[4](C[6a]C[6a]2)(N[4]C[4]C)2(NC[6a]H){1|C<4>,2|C<3>,2|H<1>}	122.0200	1.363	2	122.0200	1.859	2	122.0200	1.859	2	122.0200	1.859	2	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:1:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:Cl-1:	C[6a](B[4]N[4]2Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H)	B[4](C[6a]C[6a]2)(N[4]B[4]P)2(Cl)	C[6a](B[4]N[4]2Cl)(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	B[4](C[6a]C[6a]2)(N[4]B[4]P)2(Cl){1|Cl<1>,2|H<1>,3|C<3>}	121.8195	5.481	2	121.8195	30.039	2	121.8195	30.039	2	121.8777	12.584	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:1:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:N[4]-3:C[6a]-3:Cl-1:	C[6a](B[4]N[4]2Cl)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H)	B[4](N[4]As[4,4]C)2(C[6a]C[6a]2)(Cl)	C[6a](B[4]N[4]2Cl)(C[6a]C[6a]H)2{1|As<4>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	B[4](N[4]As[4,4]C)2(C[6a]C[6a]2)(Cl){2|C<3>,2|H<1>,2|N<3>}	121.9360	2.775	2	121.9360	7.699	2	121.9360	7.699	2	121.8777	12.584	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:2:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[4]-3:C[6a]-3:C[6a]-3:S[4]-2:	C[6a](B[4]C[6a]N[4]S[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](N[4]C[3x6]C[4])(C[6a]C[6a]2)2(S[4]C[4])	C[6a](B[4]C[6a]N[4]S[4])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	B[4](N[4]C[3x6]C[4])(C[6a]C[6a]2)2(S[4]C[4]){1|H<1>,3|C<4>,4|C<3>,4|F<1>}	122.9780	2.505	4	122.9780	6.274	4	122.9780	6.274	4	122.9780	6.274	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N[4]-3:N[4]-3:	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(N[4]B[4]N)2	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2{1|B<4>,2|F<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|N<3>}	B[4](C[6a]C[6a]2)2(N[4]B[4]N)2{4|F<1>,6|C<3>}	122.6580	4.100	4	122.6580	16.809	4	123.1087	7.832	20	122.6863	7.804	28	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N[4]-3:N[4]-3:	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(N[4]C[4]C)2	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|N<3>}	B[4](C[6a]C[6a]2)2(N[4]C[4]C)2{1|H<1>,4|C<3>,4|F<1>}	123.2324	2.928	8	123.2214	6.491	16	123.1087	7.832	20	122.6863	7.804	28	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:N[4]-3:N[4]-3:	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(N[4]C[4]C)2	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|N<3>}	B[4](C[6a]C[6a]2)2(N[4]C[4]C)2{4|F<1>,5|C<3>}	123.2104	2.310	8	123.2214	6.491	16	123.1087	7.832	20	122.6863	7.804	28	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:O[4]-3:O[4]-3:	C[6a](B[4]C[6a]O[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(O[4]B[4]Li)2	C[6a](B[4]C[6a]O[4]2)(C[6a]C[6a]F)2{2|Li<4>,1|B<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|F<1>,1|F<2>,2|C<3>,2|O<3>}	B[4](C[6a]C[6a]2)2(O[4]B[4]Li)2{2|F<1>,2|F<2>,6|C<3>}	120.1415	0.459	4	120.1415	0.211	4	120.1415	0.211	4	122.6863	7.804	28	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[4]-3:N[4]-3:C[6a]-3:C[6a]-3:	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](N[4]C[6a]C[4])2(C[6a]C[6a]2)2	C[6a](B[4]C[6a]N[4]2)(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|N<3>}	B[4](N[4]C[6a]C[4])2(C[6a]C[6a]2)2{1|C<4>,4|F<1>,8|C<3>}	123.1192	3.218	4	123.1192	10.353	4	123.1192	10.353	4	122.6863	7.804	28	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:3:4:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[4]-3:C[6a]-3:C[6a]-3:C[4]-4:	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](N[4]C[6a]P[4])(C[6a]C[6a]2)2(C[4]P[4]HH)	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2{1|P<4>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[4](N[4]C[6a]P[4])(C[6a]C[6a]2)2(C[4]P[4]HH){2|C<4>,4|F<1>,6|C<3>}	123.1723	4.645	4	123.1723	21.580	4	123.1723	21.580	4	123.1723	21.580	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:4:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[4]-4:C[4]-3:	C[6a](B[4]C[6a]C[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(C[4]O[4]HH)(C[4]O[4]O)	C[6a](B[4]C[6a]C[4]2)(C[6a]C[6a]F)2{2|F<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,2|F<1>,3|C<3>}	B[4](C[6a]C[6a]2)2(C[4]O[4]HH)(C[4]O[4]O){4|C<3>,4|F<1>}	123.0015	4.712	4	123.0015	22.204	4	123.0015	22.204	4	123.1897	13.807	6	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:4:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[4]-4:O[4]-3:	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(C[4]C[4]CH)(O[4]C[4]Li)	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2{1|Li<4>,1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|F<2>,1|O<3>,2|C<3>}	B[4](C[6a]C[6a]2)2(C[4]C[4]CH)(O[4]C[4]Li){1|H<1>,2|F<1>,2|F<2>,5|C<3>}	123.5660	1.413	2	123.5660	1.996	2	123.5660	1.996	2	123.1897	13.807	6	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:4:4:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[4]-4:N[4]-4:	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(C[4]C[4]HH)(N[4]C[4]CC)	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<4>,2|C<3>,2|F<1>}	B[4](C[6a]C[6a]2)2(C[4]C[4]HH)(N[4]C[4]CC){1|H<1>,4|F<1>,5|C<3>}	123.2969	6.450	12	123.2969	41.605	12	123.2969	41.605	12	123.4276	24.218	20	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:3:4:4:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:P[4]-4:P[4]-4:	C[6a](B[4]C[6a]P[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[6a]C[6a]2)2(P[4]B[4]CC)2	C[6a](B[4]C[6a]P[4]2)(C[6a]C[6a]F)2{1|B<4>,2|F<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){2|C<3>,2|F<1>,2|P<4>}	B[4](C[6a]C[6a]2)2(P[4]B[4]CC)2{4|F<1>,6|C<3>}	123.6238	0.531	8	123.6238	0.282	8	123.6238	0.282	8	123.4276	24.218	20	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:4:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,6a]-3:N[4]-4:C[6a]-3:C[6a]-3:	C[6a](B[4]C[4,6a]C[6a]N[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6a]C[6a]N[4])(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|N<4>,2|F<1>,3|C<3>}	B[4](C[4,6a]C[4,6a]C[6a])(N[4]C[4,6a]CC)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,6|C<3>}	123.0915	5.171	8	123.0915	26.737	8	123.0915	26.737	8	123.1081	23.949	12	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	3:4:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[4,6]-3:C[4]-4:C[6a]-3:C[6a]-3:	C[6a](B[4]N[4,6]C[6a]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)2	C[6a](B[4]N[4,6]C[6a]C[4])(C[6a]C[6a]F)2{2|F<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[4](N[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[6a]C[6a]2)2{1|C<4>,4|F<1>,6|C<3>}	123.1412	5.042	4	123.1412	25.425	4	123.1412	25.425	4	123.1081	23.949	12	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4]-4:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[4]C[6a]P[4]H)(C[6a]C[6a]2)2(N[4]P[4]Si)	C[6a](B[4]C[6a]C[4]N[4])(C[6a]C[6a]F)2{1|Si<4>,1|H<1>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[4](C[4]C[6a]P[4]H)(C[6a]C[6a]2)2(N[4]P[4]Si){2|C<4>,4|F<1>,6|C<3>}	123.7382	5.814	4	123.7382	33.797	4	123.7382	33.797	4	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4]-4:O[4]-3:C[6a]-3:C[6a]-3:	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[4]C[4,5]CH)(O[4]C[4,5]Li)(C[6a]C[6a]2)2	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2{1|Li<4>,1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|F<2>,1|O<3>,2|C<3>}	B[4](C[4]C[4,5]CH)(O[4]C[4,5]Li)(C[6a]C[6a]2)2{2|C<4>,2|F<1>,2|F<2>,4|C<3>}	123.6205	3.359	2	123.6205	11.286	2	123.6205	11.286	2	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{10|C<3>,1|C<4>,4|F<1>}	123.3972	1.798	8	123.3673	5.435	24	123.3673	5.435	24	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{10|C<3>,1|H<1>,4|F<1>}	123.2998	2.976	4	123.3673	5.435	24	123.3673	5.435	24	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4](P[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|F<1>}	123.3699	2.625	12	123.3673	5.435	24	123.3673	5.435	24	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){1|Si<4>,4|F<1>,8|C<3>}	123.4311	2.441	16	123.2703	5.142	52	123.2211	4.721	60	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	123.3277	2.662	4	123.2703	5.142	52	123.2211	4.721	60	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|F<1>,9|C<3>}	123.1827	2.206	32	123.2703	5.142	52	123.2211	4.721	60	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H)	C[6a](B[4]C[6a]C[4]P[4])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|P<4>,2|F<1>,3|C<3>}	B[4](P[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H){1|Si<4>,4|F<1>,8|C<3>}	122.9010	1.482	8	122.9010	2.196	8	123.2211	4.721	60	123.2919	5.817	90	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:3:3:4:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[4,6]-4:C[6a]-3:C[6a]-3:C[4]-4:	C[6a](B[4]N[4,6]C[6a]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](N[4,6]C[4]C[6]2)(C[6a]C[6a]2)2(C[4]C[4]CC)	C[6a](B[4]N[4,6]C[6a]C[4])(C[6a]C[6a]F)2{2|F<1>,3|C<3>,5|C<4>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<4>,2|C<3>,2|F<1>}	B[4](N[4,6]C[4]C[6]2)(C[6a]C[6a]2)2(C[4]C[4]CC){2|C<4>,4|F<1>,5|C<3>,5|H<1>}	123.5178	9.646	4	123.5178	93.050	4	123.5178	93.050	4	123.5178	93.050	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:4:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,6]-4:N[4,5]-4:C[6a]-3:C[6a]-3:	C[6a](B[4]C[4,6]N[4,5]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,5]C[4,6,6]C[5]2)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6]N[4,5]C[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<4>,2|C<3>,2|F<1>}	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,5]C[4,6,6]C[5]2)(C[6a]C[6a]2)2{4|C<4>,4|F<1>,5|C<3>,5|H<1>}	123.3265	7.803	4	123.3265	60.885	4	123.3265	60.885	4	123.4232	49.280	16	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:4:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,6]-4:N[4,6]-4:C[6a]-3:C[6a]-3:	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,6]C[4,6,6]C[6]2)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<4>,2|C<3>,2|F<1>}	B[4](C[4,6]C[4,6,6]C[6]H)(N[4,6]C[4,6,6]C[6]2)(C[6a]C[6a]2)2{4|C<4>,4|F<1>,5|C<3>,5|H<1>}	123.5515	7.146	8	123.5515	51.059	8	123.4554	50.590	12	123.4232	49.280	16	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	4:4:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,6]-4:N[4,6]-4:C[6a]-3:C[6a]-3:	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F)	B[4](C[4,6]C[4,6]C[6]H)(N[4,6]C[4,6]C[6]2)(C[6a]C[6a]2)2	C[6a](B[4]C[4,6]N[4,6]C[6a])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(F){1|C<4>,1|N<4>,2|C<3>,2|F<1>}	B[4](C[4,6]C[4,6]C[6]H)(N[4,6]C[4,6]C[6]2)(C[6a]C[6a]2)2{4|C<3>,4|C<4>,4|F<1>,7|H<1>}	123.2632	8.142	4	123.2632	66.284	4	123.4554	50.590	12	123.4232	49.280	16	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:1:	6:4:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,4,5x5,20x6]-6:P[4]-4:C[6a]-3:C[6a]-3:	C[6a](B[4]C[5x3,4,5x5,20x6]C[6a]P[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H)	B[4](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(P[4]C[5x3,4,5x5,20x6]C[6a]2)(C[6a]C[6a]2)2	C[6a](B[4]C[5x3,4,5x5,20x6]C[6a]P[4])(C[6a]C[6a]H)2{1|C<6>,2|H<1>,4|B<6>,5|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(H){1|C<6>,1|P<4>,2|C<3>,2|H<1>}	B[4](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(P[4]C[5x3,4,5x5,20x6]C[6a]2)(C[6a]C[6a]2)2{5|B<6>,8|C<3>,8|H<1>}	122.0775	5.609	4	122.0775	31.456	4	122.0775	31.456	4	122.0775	31.456	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:2:	3:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-2:	C[6a]-3:C[6a]-3:O[4]-3:O[4]-3:	C[6a](B[4]C[6a]O[4]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(FLi)	B[4](C[6a]C[6a]2)2(O[4]B[4]Li)2	C[6a](B[4]C[6a]O[4]2)(C[6a]C[6a]F)2{2|Li<4>,1|B<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(FLi){2|C<3>,2|F<1>,2|O<3>}	B[4](C[6a]C[6a]2)2(O[4]B[4]Li)2{2|F<1>,2|F<2>,6|C<3>}	126.2170	0.747	4	126.2170	0.558	4	126.2170	0.558	4	126.2170	0.558	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:2:	3:3:4:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-2:	C[6a]-3:C[6a]-3:C[4]-4:O[4]-3:	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(FLi)	B[4](C[6a]C[6a]2)2(C[4]C[4]CH)(O[4]C[4]Li)	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2{1|Li<4>,1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(FLi){1|C<4>,1|O<3>,2|C<3>,2|F<1>}	B[4](C[6a]C[6a]2)2(C[4]C[4]CH)(O[4]C[4]Li){1|H<1>,2|F<1>,2|F<2>,5|C<3>}	123.5780	1.488	2	123.5780	2.213	2	123.5780	2.213	2	123.5780	2.213	2	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:2:	4:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-2:	C[4]-4:O[4]-3:C[6a]-3:C[6a]-3:	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(FLi)	B[4](C[4]C[4,5]CH)(O[4]C[4,5]Li)(C[6a]C[6a]2)2	C[6a](B[4]C[6a]C[4]O[4])(C[6a]C[6a]F)2{1|Li<4>,1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]F)(FLi){1|C<4>,1|O<3>,2|C<3>,2|F<1>}	B[4](C[4]C[4,5]CH)(O[4]C[4,5]Li)(C[6a]C[6a]2)2{2|C<4>,2|F<1>,2|F<2>,4|C<3>}	123.2660	4.418	2	123.2660	19.519	2	123.2660	19.519	2	123.2660	19.519	2	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:4:	3:3:3:3:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[4]C[4,6a]2C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3)	B[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](B[4]C[4,6a]2C[6a])(C[6a]C[6a]C)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3){2|C<4>,4|C<3>}	B[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2)2{2|H<1>,4|C<4>,7|C<3>}	122.1695	4.962	4	122.1695	24.622	4	122.1695	24.622	4	122.1695	24.622	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:4:	4:3:3:1:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[4,6]-4:C[4]-3:C[6a]-3:Cl-1:	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]C)(CH3)	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl)	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]C)(CH3){1|Cl<1>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl){1|B<3>,2|C<3>,4|H<1>,6|C<4>}	121.3165	1.592	2	121.3165	2.534	2	121.6993	1.724	4	121.6993	1.724	4	123.1610	14.041	210	123.1459	13.761	216
643	643	742	0:SP2_SP2_SP3	C[6a]	C[6a]	B[4]	4:3:3:	3:3:4:	4:3:3:1:	B[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[4,6]-4:C[4]-3:C[6a]-3:Cl-1:	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3)	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl)	C[6a](B[4]N[4,6]C[4]Cl)(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]B[4])(C[6a]C[6a]H)(CH3){1|Cl<1>,1|N<4>,2|C<3>,2|C<4>}	B[4](N[4,6]C[4]C[6]2)(C[4]C[4]N[6])(C[6a]C[6a]2)(Cl){1|B<3>,2|C<3>,4|H<1>,6|C<4>}	122.0820	1.433	2	122.0820	2.052	2	121.6993	1.724	4	121.6993	1.724	4	123.1610	14.041	210	123.1459	13.761	216
643	643	762	0:SP2_SP2_SP2	C[6,6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	121.9180	0.000	1	121.9180	0.000	1	122.4455	0.557	2	122.4455	0.557	2	122.4455	0.557	2	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O){1|C<4>,3|C<3>,4|H<1>}	122.9730	0.000	1	122.9730	0.000	1	122.4455	0.557	2	122.4455	0.557	2	122.4455	0.557	2	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O){1|C<4>,5|C<3>}	120.9102	0.831	5	120.9102	0.691	5	120.9102	0.691	5	120.9102	0.691	5	120.9102	0.691	5	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6]){2|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	125.1720	0.000	1	125.1720	0.000	1	125.1720	0.000	1	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	124.2600	0.577	3	124.2940	0.227	4	124.2940	0.227	4	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){3|C<4>,4|H<1>,5|C<3>}	124.3960	0.000	1	124.2940	0.227	4	124.2940	0.227	4	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	123.1762	0.568	12	123.1762	0.323	12	123.2031	0.397	25	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	123.2280	0.704	13	123.2280	0.496	13	123.2031	0.397	25	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	121.9376	0.524	8	121.9071	0.357	13	122.2121	0.605	17	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	121.8582	0.765	5	121.9071	0.357	13	122.2121	0.605	17	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	123.4305	0.094	2	123.2035	0.083	4	122.2121	0.605	17	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	122.9765	0.187	2	123.2035	0.083	4	122.2121	0.605	17	122.9794	0.932	47	122.9794	0.932	47	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]S[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]S[6]){1|O<2>,3|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	121.3820	0.000	1	121.3820	0.000	1	121.3820	0.000	1	122.3619	1.679	14	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.3470	0.078	2	121.3470	0.006	2	121.3470	0.006	2	122.3619	1.679	14	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	121.8185	0.655	2	121.8185	0.430	2	123.1792	1.051	8	122.3619	1.679	14	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.3500	0.000	1	124.3500	0.000	1	123.1792	1.051	8	122.3619	1.679	14	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.0775	0.251	2	123.4894	0.343	5	123.1792	1.051	8	122.3619	1.679	14	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.0973	0.280	3	123.4894	0.343	5	123.1792	1.051	8	122.3619	1.679	14	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6])	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H){2|B<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H){2|F<1>,2|O<2>,4|C<3>}	121.1857	0.986	3	121.1857	0.973	3	121.1857	0.973	3	122.3619	1.679	14	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O){1|N<3>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(S[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,5|C<3>}	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	121.7270	0.492	2	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:Se[6]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O){1|N<2>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(Se[6]C[6,6a]){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|Se<2>,1|N<2>,6|C<3>}	122.2230	0.000	1	122.2230	0.000	1	122.2230	0.000	1	121.7270	0.492	2	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>}	122.2000	0.170	4	122.2000	0.029	4	122.2000	0.029	4	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.2480	0.028	2	124.4925	2.117	4	123.7726	1.431	10	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.7370	0.395	2	124.4925	2.117	4	123.7726	1.431	10	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.3455	0.583	2	123.0592	0.798	4	123.7726	1.431	10	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	123.7730	0.126	2	123.0592	0.798	4	123.7726	1.431	10	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.6500	0.000	1	123.6500	0.000	1	123.7726	1.431	10	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	123.8690	0.000	1	123.8690	0.000	1	123.7726	1.431	10	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	121.2115	0.062	2	121.2115	0.004	2	121.7785	0.530	4	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	121.9590	0.000	1	122.3455	0.299	2	121.7785	0.530	4	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	122.7320	0.000	1	122.3455	0.299	2	121.7785	0.530	4	122.9800	1.708	18	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	123.0380	0.902	2	123.0380	0.814	2	123.0380	0.814	2	123.0380	0.814	2	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|C<4>,1|O<2>,5|C<3>}	122.5530	0.395	2	122.5530	0.156	2	122.5530	0.156	2	122.5350	0.119	8	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	122.4790	0.000	1	122.3045	0.023	4	122.5290	0.135	6	122.5350	0.119	8	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	122.3800	0.000	1	122.3045	0.023	4	122.5290	0.135	6	122.5350	0.119	8	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	122.1795	0.046	2	122.3045	0.023	4	122.5290	0.135	6	122.5350	0.119	8	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	122.9710	0.000	1	122.9780	0.000	2	122.5290	0.135	6	122.5350	0.119	8	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	122.9850	0.000	1	122.9780	0.000	2	122.5290	0.135	6	122.5350	0.119	8	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){2|C<3>,4|C<4>}	123.6753	0.366	3	123.6753	0.134	3	123.1202	1.322	4	123.1202	1.322	4	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]OO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]OO)(O){1|C<4>,2|F<1>,3|C<3>}	121.4550	0.000	1	121.4550	0.000	1	123.1202	1.322	4	123.1202	1.322	4	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	124.0970	0.000	1	124.0970	0.000	1	124.0970	0.000	1	124.0970	0.000	1	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6,6a](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	120.2845	0.063	2	120.2845	0.004	2	120.2845	0.004	2	120.2845	0.004	2	122.6148	1.499	52	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6]){1|Si<4>,1|B<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){1|H<1>,3|O<2>,5|C<3>}	122.4695	0.415	2	122.4695	0.172	2	122.4695	0.172	2	122.4695	0.172	2	123.8798	3.202	4	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	126.1500	0.000	1	126.1500	0.000	1	126.1500	0.000	1	126.1500	0.000	1	123.8798	3.202	4	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	123.8798	3.202	4	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.0223	0.599	3	123.0223	0.358	3	123.0223	0.358	3	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a,6a]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.5610	0.403	2	124.5610	0.162	2	124.3684	0.511	12	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|O<2>}	124.4590	0.000	1	124.4590	0.000	1	124.3684	0.511	12	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.3817	0.424	3	124.3156	0.668	9	124.3684	0.511	12	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.6600	0.000	1	124.3156	0.668	9	124.3684	0.511	12	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.3465	0.043	2	124.3156	0.668	9	124.3684	0.511	12	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	125.1140	0.409	3	124.3156	0.668	9	124.3684	0.511	12	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.4460	0.000	1	123.4460	0.000	1	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Bi<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.5012	0.406	4	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.3775	0.197	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<7>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.4740	0.100	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cr<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.2502	0.262	4	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.3623	0.369	10	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.0493	0.803	4	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Eu<13>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.4280	0.048	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.8748	0.774	4	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.2065	0.047	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.5373	0.526	3	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.0355	0.401	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Os<9>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.0885	0.814	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.7265	1.145	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9176	0.485	8	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.5583	1.022	3	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.1573	0.940	4	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9793	0.725	4	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.0900	0.651	4	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.6545	0.407	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.2175	0.305	2	122.7897	0.593	70	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	123.1015	0.083	2	123.1015	0.007	2	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ag<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.9878	0.202	4	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.3300	0.116	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.8430	0.085	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.7230	0.426	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.7287	1.013	12	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.4530	0.645	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.5937	0.506	6	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Eu<13>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.4500	0.000	1	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.1534	0.484	9	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.0280	0.903	4	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.3845	0.564	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.7220	0.890	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.2655	0.271	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.3985	0.301	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.7340	0.000	1	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.1640	0.000	1	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9943	0.861	12	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Sn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.4220	0.000	1	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.5340	0.809	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.1580	0.588	2	123.3109	0.904	71	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.1770	0.000	1	122.1770	0.000	1	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.5390	0.000	1	122.6270	0.015	2	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.7150	0.000	1	122.6270	0.015	2	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|C<3>,2|H<1>,3|N<2>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.1830	0.000	1	123.1830	0.000	1	123.0447	0.783	148	123.1417	0.870	163	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.1663	1.115	3	125.3332	0.941	4	125.3332	0.941	4	125.3332	0.941	4	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<2>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.8340	0.000	1	125.3332	0.941	4	125.3332	0.941	4	125.3332	0.941	4	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	124.6220	0.000	1	124.6220	0.000	1	124.6220	0.000	1	124.6220	0.000	1	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]P[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]O[6]O){1|P<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]P[6])(O){1|Cl<1>,1|O<2>,3|C<3>}	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH){5|C<3>}	121.4650	1.011	2	121.4650	1.022	2	121.4650	1.022	2	121.4650	1.022	2	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[3x6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[3x6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O){8|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[3x6a]C[6a])(C[3x6a]C[3x6a]2){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O){1|O<1>,6|C<3>}	122.7805	0.637	2	122.7805	0.406	2	122.7805	0.406	2	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O){7|C<3>}	120.7305	0.179	2	120.7305	0.032	2	120.7305	0.032	2	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	125.3190	0.000	1	126.0513	0.797	3	126.0513	0.797	3	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H){1|Os<6>,4|C<3>}	126.4175	0.889	2	126.0513	0.797	3	126.0513	0.797	3	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	121.5850	0.233	2	121.5850	0.054	2	120.6492	0.445	10	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){2|C<4>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	120.3990	0.361	4	120.3990	0.131	4	120.6492	0.445	10	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	120.9790	0.061	2	120.9790	0.004	2	120.6492	0.445	10	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	119.8840	0.406	2	119.8840	0.165	2	120.6492	0.445	10	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	124.4120	0.000	1	124.4120	0.000	1	124.4120	0.000	1	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Pt<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.1130	0.000	1	123.2773	0.130	7	123.4436	0.333	8	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Re<6>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,4|C<3>}	123.2360	0.480	4	123.2773	0.130	7	123.4436	0.333	8	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Zn<5>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,4|C<3>}	123.4420	0.045	2	123.2773	0.130	7	123.4436	0.333	8	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	124.6080	0.000	1	124.6080	0.000	1	123.4436	0.333	8	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	124.9280	0.000	1	124.9280	0.000	1	123.9240	2.016	2	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	122.9200	0.000	1	122.9200	0.000	1	123.9240	2.016	2	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	124.8820	0.000	1	124.8820	0.000	1	124.0705	1.317	2	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]C[6,6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]C[6,6]H){1|Ru<7>,1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(H){1|Ru<7>,1|N<2>,2|N<3>,4|C<3>}	123.2590	0.000	1	123.2590	0.000	1	124.0705	1.317	2	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	122.5105	0.149	2	122.5105	0.022	2	124.1907	4.593	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	122.7350	0.000	1	123.1520	0.348	2	124.1907	4.593	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	123.5690	0.000	1	123.1520	0.348	2	124.1907	4.593	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	126.8430	0.000	1	126.8430	0.000	1	124.1907	4.593	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O){2|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	126.9760	0.000	1	126.9760	0.000	1	124.1907	4.593	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H){1|C<4>,1|S<4>,3|C<3>}	121.9160	0.000	1	121.9160	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.7090	0.000	1	121.7090	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Al<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.4030	0.000	1	123.3900	0.000	2	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,5|C<3>}	123.3770	0.000	1	123.3900	0.000	2	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.4570	0.000	1	123.2707	0.328	4	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Cu<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.4170	0.076	2	123.2707	0.328	4	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.7920	0.000	1	123.2707	0.328	4	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){2|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	125.3875	1.152	2	125.3875	1.327	2	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|O<2>,7|C<3>}	125.1720	0.000	1	125.1720	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H){1|O<2>,5|C<3>}	124.1020	0.000	1	124.1020	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]Br){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	126.8280	0.000	1	126.8280	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	123.9900	0.049	2	123.9900	0.002	2	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H){1|O<2>,1|S<2>,2|N<2>,3|C<3>}	124.3470	0.000	1	124.3470	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]H)(H){1|O<2>,5|C<3>}	124.2055	0.384	2	124.2055	0.147	2	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H){1|O<2>,5|C<3>}	123.3070	0.000	1	123.3070	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	123.8210	0.000	1	123.8210	0.000	1	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,4|C<3>}	123.8970	0.000	1	124.0880	0.115	7	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	123.9862	0.168	5	124.0880	0.115	7	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	124.7880	0.000	1	124.0880	0.115	7	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	125.8230	1.669	2	125.8230	2.785	2	124.0860	1.387	29	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O){1|C<4>,4|C<3>}	123.1545	0.124	2	123.1545	0.015	2	123.3583	0.207	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O){5|C<3>}	122.7000	0.000	1	122.7000	0.000	1	123.3583	0.207	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	123.5950	0.199	2	123.5950	0.040	2	123.3583	0.207	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,4|C<3>}	123.9510	0.000	1	123.9510	0.000	1	123.3583	0.207	6	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O){3|C<3>,3|C<4>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,3|H<1>}	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H){1|O<2>,5|C<3>}	121.7970	0.000	1	121.7970	0.000	1	122.0587	0.141	11	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H){1|O<2>,2|F<1>,3|C<3>}	121.5000	0.000	1	121.5000	0.000	1	122.0587	0.141	11	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|F<1>,1|O<2>,6|C<3>}	122.1950	0.000	1	122.1499	0.119	9	122.0587	0.141	11	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	122.1442	0.368	8	122.1499	0.119	9	122.0587	0.141	11	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.2530	0.000	1	123.2530	0.000	1	123.7043	0.100	4	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Re<6>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,4|C<3>}	123.9220	0.000	2	123.9220	0.000	2	123.7043	0.100	4	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	123.7200	0.000	1	123.7200	0.000	1	123.7043	0.100	4	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]H){1|H<1>,4|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.5890	0.000	1	122.4015	0.070	2	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.2140	0.000	1	122.4015	0.070	2	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>}	124.5277	1.082	6	124.5277	1.170	6	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.9900	0.000	1	123.9900	0.000	1	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	124.8570	0.000	1	124.8687	0.196	3	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,4|C<3>}	125.3170	0.000	1	124.8687	0.196	3	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	124.4320	0.000	1	124.8687	0.196	3	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|Pt<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.7250	0.000	1	125.5770	0.985	3	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|Pt<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.5030	1.392	2	125.5770	0.985	3	124.4864	1.517	15	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	120.9135	0.713	2	120.9135	0.509	2	120.9135	0.509	2	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:C[3x6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){2|F<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	120.8925	0.368	2	120.8925	0.136	2	119.8590	3.272	3	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	117.7920	0.000	1	117.7920	0.000	1	119.8590	3.272	3	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6a,6a](C[6,6a]N[5a,6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6]H)(H)	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]N[5a,6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	126.3290	0.000	1	126.3290	0.000	1	126.3290	0.000	1	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6,6a]C[6a,6a])(C[6]C[6a]C[6])(H)	C[6,6a](N[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6,6a]C[6a,6a])(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	120.6160	0.000	1	120.6160	0.000	1	120.6160	0.000	1	123.2398	3.353	112	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	124.4140	0.000	1	124.4140	0.000	1	124.4140	0.000	1	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	124.3890	0.000	1	124.3890	0.000	1	124.3890	0.000	1	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]C)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]C){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O){2|C<4>,4|C<3>}	126.2730	0.000	1	126.2730	0.000	1	126.2730	0.000	1	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	125.2660	0.000	1	125.2660	0.000	1	125.2660	0.000	1	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO){1|C<4>,2|H<1>,3|C<3>}	123.0180	0.000	1	123.0180	0.000	1	123.0180	0.000	1	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	126.2070	0.038	2	126.2070	0.001	2	126.2070	0.001	2	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|H<1>,5|C<3>}	125.3670	0.000	1	125.3670	0.000	1	125.3670	0.000	1	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a]){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,7|C<3>}	124.3655	0.018	2	124.3655	0.000	2	124.3655	0.000	2	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C){1|Pd<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN){1|H<1>,1|N<3>,5|C<3>}	125.9320	0.000	1	125.9320	0.000	1	125.6007	0.102	3	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C){1|Pd<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO){1|H<1>,1|N<3>,5|C<3>}	125.4350	0.199	2	125.4350	0.040	2	125.6007	0.102	3	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6])	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a]C[6])(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	C[6a,6a](C[6,6a]N[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	125.2480	0.151	2	125.2480	0.023	2	125.2480	0.023	2	125.0740	0.834	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]2)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]2){3|C<4>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	124.0807	1.171	8	124.0807	1.370	8	124.1458	1.493	15	124.0812	1.461	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|O<2>,2|H<1>,7|C<3>}	124.8187	1.517	3	124.8187	2.301	3	124.1458	1.493	15	124.0812	1.461	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO){1|O<2>,2|H<1>,7|C<3>}	125.5950	0.000	1	125.5950	0.000	1	124.1458	1.493	15	124.0812	1.461	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|S<2>,2|H<1>,7|C<3>}	122.9440	0.195	2	122.9440	0.038	2	124.1458	1.493	15	124.0812	1.461	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	123.6020	0.000	1	123.6020	0.000	1	124.1458	1.493	15	124.0812	1.461	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C)	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[3x6a]C[6a,6a]2){1|B<4>,1|C<4>,1|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	123.1130	0.000	1	123.1130	0.000	1	123.1130	0.000	1	124.0812	1.461	16	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6]){2|C<4>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6])	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6,6a]C[6])(C[6,6a]C[5,6,6a]C[6]){2|C<4>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	124.8590	0.000	1	124.8590	0.000	1	124.8590	0.000	1	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[3x6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[4x6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	123.1310	0.000	1	123.1310	0.000	1	123.1310	0.000	1	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O){1|Br<1>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O){2|C<4>,6|C<3>}	122.0160	0.000	1	122.0160	0.000	1	122.4695	0.411	2	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O){2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,6|C<3>}	122.9230	0.000	1	122.9230	0.000	1	122.4695	0.411	2	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]FF)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|C<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]FF)(O){1|H<1>,2|C<4>,3|C<3>}	122.2450	0.000	1	122.2450	0.000	1	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	123.5855	0.129	4	123.5855	0.017	4	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.6500	0.000	1	122.6500	0.000	1	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	123.2460	0.000	1	123.1055	0.138	4	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.3105	0.091	2	123.1055	0.138	4	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.5550	0.000	1	123.1055	0.138	4	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	123.8860	0.000	1	123.8860	0.000	1	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	124.2520	0.000	1	123.8920	0.165	3	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.4510	0.000	1	123.8920	0.165	3	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	123.9730	0.000	1	123.8920	0.165	3	123.3729	0.318	14	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O)	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(N[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O){1|N<3>,3|C<3>}	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	123.2690	0.000	1	123.2690	0.000	1	122.1953	0.866	3	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.6210	0.000	1	121.6210	0.000	1	122.1953	0.866	3	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	121.6960	0.000	1	121.6960	0.000	1	122.1953	0.866	3	123.1734	0.648	24	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO){3|H<1>,6|C<3>}	124.9970	0.000	1	124.9970	0.000	1	125.3005	0.184	2	125.3005	0.184	2	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO){1|C<4>,1|H<1>,6|C<3>}	125.6040	0.000	1	125.6040	0.000	1	125.3005	0.184	2	125.3005	0.184	2	123.3381	1.966	341	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:2:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	127.6140	0.000	1	127.4675	0.043	2	127.4675	0.043	2	127.4675	0.043	2	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:2:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	127.3210	0.000	1	127.4675	0.043	2	127.4675	0.043	2	127.4675	0.043	2	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6])	C[6,6a](C[6,6]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6]){2|C<4>,2|H<1>,6|C<3>}	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,5|H<1>}	121.7085	0.469	2	121.7085	0.220	2	121.7085	0.220	2	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6]){1|H<1>,1|O<2>,8|C<3>}	122.1880	0.000	1	122.1880	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	123.5830	0.000	1	123.5830	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6]){1|C<4>,3|H<1>,5|C<3>}	122.7850	0.000	1	122.5225	0.138	2	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6]){3|C<3>,3|C<4>,5|H<1>}	122.2600	0.000	1	122.5225	0.138	2	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	122.1790	0.000	1	122.5712	0.141	4	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	122.8390	0.000	1	122.5712	0.141	4	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	122.6335	0.436	2	122.5712	0.141	4	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.9370	0.000	1	121.6250	0.256	7	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.5850	0.503	2	121.6250	0.256	7	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.2630	0.331	2	121.6250	0.256	7	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|Se<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	121.2830	0.000	1	121.6250	0.256	7	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.4590	0.000	1	121.6250	0.256	7	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|S<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6]){1|C<4>,2|H<1>,3|C<3>,4|O<1>}	120.6040	0.000	1	120.6040	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6]){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	121.5190	0.000	1	121.5190	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	122.6100	0.000	1	122.6100	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	124.7050	0.000	1	124.7050	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	122.9370	0.000	1	122.9370	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6]){1|S<2>,3|H<1>,5|C<3>}	120.5960	0.000	1	120.5960	0.000	1	122.1641	0.981	21	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	120.9770	0.119	2	120.9770	0.014	2	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	120.9100	0.000	1	120.9100	0.000	1	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,5|C<3>}	120.2330	0.000	1	120.1073	0.230	3	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	120.0445	0.661	2	120.1073	0.230	3	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	120.1840	0.000	1	120.1840	0.000	1	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	120.3050	0.000	1	120.3050	0.000	1	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a]){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	119.5460	0.000	1	119.5460	0.000	1	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	118.8750	0.000	1	118.8750	0.000	1	120.2096	0.490	10	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,4|C<3>}	121.1870	0.000	1	121.6300	0.392	2	121.6300	0.392	2	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,4|C<3>}	122.0730	0.000	1	121.6300	0.392	2	121.6300	0.392	2	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]N[6,6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]N[6,6]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	121.4182	1.771	38	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	123.8510	0.000	1	123.8510	0.000	1	123.8510	0.000	1	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6,6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	119.2324	0.301	9	119.3192	0.156	10	119.3192	0.156	10	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6,6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	120.1000	0.000	1	119.3192	0.156	10	119.3192	0.156	10	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	121.9990	0.000	1	122.8263	0.513	3	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	123.2400	0.000	2	122.8263	0.513	3	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]){3|C<4>,4|C<3>,5|H<1>}	123.7510	0.000	1	123.7510	0.000	1	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,5|H<1>}	123.7970	0.000	1	123.7970	0.000	1	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.9180	0.000	1	121.9180	0.000	1	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	123.3790	0.000	1	123.3790	0.000	1	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	123.5670	0.000	1	123.5670	0.000	1	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	123.5200	0.000	1	123.5200	0.000	1	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	121.9530	0.285	3	121.9530	0.081	3	122.8558	0.675	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	122.7270	0.104	3	122.7270	0.011	3	122.7270	0.011	3	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	123.0425	0.484	31	123.0425	0.234	31	123.0425	0.234	31	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	121.8982	0.282	6	121.8982	0.080	6	121.4714	1.455	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H)	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|P<3>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,4|C<3>}	118.9560	0.153	2	118.9560	0.023	2	121.4714	1.455	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	122.0890	0.324	4	122.0890	0.105	4	121.4714	1.455	12	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	119.4110	0.353	4	119.4110	0.125	4	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	120.5370	0.000	1	120.5370	0.000	1	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	119.9575	3.105	2	119.9575	9.640	2	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	118.7750	0.000	1	120.1967	1.862	7	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|I<1>,3|C<3>,3|H<1>}	119.4630	0.000	1	120.1967	1.862	7	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	119.4180	0.000	1	120.1967	1.862	7	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	122.9400	0.000	1	120.1967	1.862	7	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	120.2603	0.484	3	120.1967	1.862	7	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	120.1575	0.866	4	120.1575	0.749	4	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	120.1670	0.000	1	120.1670	0.000	1	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	122.8610	0.000	1	122.8610	0.000	1	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	120.7420	0.000	1	120.7420	0.000	1	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	121.8820	0.000	1	121.8820	0.000	1	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	121.4185	0.117	2	121.4185	0.014	2	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	123.6330	0.000	1	123.6330	0.000	1	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	121.5905	0.172	2	121.7200	0.141	4	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	121.8495	0.571	2	121.7200	0.141	4	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	122.3240	0.000	1	122.3240	0.000	1	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	122.7130	2.404	2	122.7130	5.780	2	120.8392	2.279	32	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	121.9000	0.000	1	121.9000	0.000	1	121.9000	0.000	1	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	120.4930	0.000	1	120.4930	0.000	1	120.4930	0.000	1	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<2>,2|S<2>,4|C<3>,5|H<1>}	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){1|B<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	118.0680	0.358	2	118.0680	0.128	2	120.0509	2.357	7	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	121.0010	0.000	1	121.0010	0.000	1	120.0509	2.357	7	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	121.3007	0.101	3	121.3007	0.010	3	120.0509	2.357	7	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	119.3170	0.000	1	119.3170	0.000	1	120.0509	2.357	7	121.6560	2.718	112	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	123.4670	0.000	1	123.4670	0.000	1	123.4670	0.000	1	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,6|H<1>}	122.0580	0.000	1	122.0580	0.000	1	123.0028	1.275	8	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	122.1010	0.000	1	122.1010	0.000	1	123.0028	1.275	8	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	122.6785	0.111	2	122.6785	0.012	2	123.0028	1.275	8	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	122.0890	0.000	1	122.0890	0.000	1	123.0028	1.275	8	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	123.5440	0.000	1	123.5440	0.000	1	123.0028	1.275	8	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	123.5000	0.000	1	123.5000	0.000	1	123.0028	1.275	8	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	125.3730	0.000	1	125.3730	0.000	1	123.0028	1.275	8	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	123.7500	0.000	1	123.7500	0.000	1	123.6552	1.204	9	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	121.7100	0.000	1	121.7100	0.000	1	123.6552	1.204	9	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	123.4690	0.253	3	123.4690	0.064	3	123.6552	1.204	9	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	125.3930	0.000	1	124.9740	0.351	2	123.6552	1.204	9	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	124.5550	0.000	1	124.9740	0.351	2	123.6552	1.204	9	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,4|H<1>,5|C<3>}	122.6060	0.000	1	123.5410	1.748	2	123.6552	1.204	9	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	124.4760	0.000	1	123.5410	1.748	2	123.6552	1.204	9	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	123.7430	0.338	2	123.7430	0.114	2	123.7430	0.114	2	123.3936	1.092	20	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:N[6]-2:	C[6,6a](C[6,6]C[3x6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]C[3x6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a]){5|H<1>,7|C<3>}	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	120.8820	0.000	1	120.8367	0.191	4	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){2|C<4>,3|C<3>,5|H<1>}	120.2260	0.000	1	120.8367	0.191	4	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){2|C<4>,4|C<3>,4|H<1>}	121.1195	0.192	2	120.8367	0.191	4	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	120.3840	0.000	1	120.3840	0.000	1	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]){1|Si<4>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.9650	0.000	1	121.9650	0.000	1	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(N[6]C[5a,6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(N[6]C[5a,6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	122.1380	0.000	1	122.1380	0.000	1	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a]){1|O<2>,4|C<3>,5|H<1>}	121.6230	0.000	1	121.6230	0.000	1	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){1|O<2>,3|C<3>,6|H<1>}	123.5735	1.435	2	123.5735	2.058	2	121.6604	1.624	10	121.5615	1.569	11	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	128.2100	0.000	1	127.3615	0.339	4	127.3615	0.339	4	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	127.1225	0.210	2	127.3615	0.339	4	127.3615	0.339	4	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	126.9910	0.000	1	127.3615	0.339	4	127.3615	0.339	4	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	121.5150	0.540	2	121.3588	0.166	6	121.1716	0.384	7	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	121.2807	0.395	4	121.3588	0.166	6	121.1716	0.384	7	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.0480	0.000	1	120.0480	0.000	1	121.1716	0.384	7	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	121.5720	0.171	2	121.5720	0.029	2	121.5720	0.029	2	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	122.1270	0.000	1	122.1270	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|B<3>,2|C<4>,3|C<3>,5|H<1>}	121.5440	0.000	1	121.7036	0.103	8	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	121.6313	0.248	6	121.7036	0.103	8	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	122.2970	0.000	1	121.7036	0.103	8	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S){2|C<4>,3|C<3>,6|H<1>}	122.4720	0.000	1	122.4720	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	121.7740	0.307	2	121.7740	0.094	2	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	120.3750	0.000	1	120.3750	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H){3|C<3>,3|C<4>,5|H<1>}	121.2913	0.220	3	121.2913	0.049	3	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	121.3989	0.586	7	121.3896	0.259	9	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.3570	0.100	2	121.3896	0.259	9	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	121.5080	0.000	1	121.0346	0.420	5	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	121.6190	0.000	1	121.0346	0.420	5	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	120.5675	0.814	2	121.0346	0.420	5	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	120.9110	0.000	1	121.0346	0.420	5	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.5070	0.000	1	120.5070	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	121.2010	0.000	1	121.2010	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	122.8025	0.780	2	122.8025	0.608	2	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2Ru)(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<7>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2Ru)(C[6]C[6,6a]H){1|H<1>,5|C<3>}	123.6710	0.000	1	123.6710	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.6920	0.000	1	122.6920	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|C<3>}	123.9665	0.896	2	123.9665	0.803	2	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H){1|O<2>,4|C<3>,5|H<1>}	123.2290	0.000	1	123.2290	0.000	1	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	122.1730	0.103	3	122.1730	0.011	3	121.7872	0.833	42	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,5|C<3>,5|H<1>}	121.6290	0.000	1	121.6290	0.000	1	121.8298	0.433	6	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	121.5043	0.159	3	121.5505	0.025	4	121.8298	0.433	6	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,3|H<1>,6|C<3>}	121.6890	0.000	1	121.5505	0.025	4	121.8298	0.433	6	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	123.1480	0.000	1	123.1480	0.000	1	121.8298	0.433	6	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N[6,6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]MnH)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Mn<7>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]MnH)(N[6,6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a]){12|C<3>,1|H<1>}	124.4340	0.461	2	124.4340	0.213	2	124.4340	0.213	2	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,9|H<1>}	123.4440	0.000	1	123.4440	0.000	1	122.3370	2.451	2	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6a]C[6a]Si[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]){1|Si<4>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	121.2300	0.000	1	121.2300	0.000	1	122.3370	2.451	2	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	122.9370	0.000	1	122.9370	0.000	1	122.5746	0.191	5	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.4840	0.447	4	122.4840	0.199	4	122.5746	0.191	5	122.1701	2.548	71	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6])	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6]){3|C<3>,3|C<4>,7|H<1>}	120.4870	0.000	1	120.4870	0.000	1	120.4870	0.000	1	121.0695	0.679	2	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	121.6520	0.000	1	121.6520	0.000	1	121.6520	0.000	1	121.0695	0.679	2	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	121.2345	0.354	2	121.2345	0.126	2	121.2345	0.126	2	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	122.3370	0.000	1	121.4870	1.100	3	121.8372	1.224	4	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<2>,2|B<3>,3|C<3>,3|H<1>}	121.8090	0.000	1	121.4870	1.100	3	121.8372	1.224	4	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	120.3150	0.000	1	121.4870	1.100	3	121.8372	1.224	4	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	122.8880	0.000	1	122.8880	0.000	1	121.8372	1.224	4	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|C<4>,2|H<1>,7|C<3>}	121.5970	0.000	1	121.5970	0.000	1	121.5970	0.000	1	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|Fe<7>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	120.0400	0.000	1	120.6698	0.332	5	120.6698	0.332	5	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	120.8272	0.527	4	120.6698	0.332	5	120.6698	0.332	5	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	122.6090	0.000	1	122.6090	0.000	1	122.6090	0.000	1	121.4736	1.038	14	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|N<3>,2|O<2>,6|C<3>}	123.7850	0.228	2	123.7850	0.052	2	123.7850	0.052	2	123.8593	0.060	4	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a]){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a]C[5a]S[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	124.1630	0.000	1	124.1630	0.000	1	124.1630	0.000	1	123.8593	0.060	4	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]O){1|Cr<9>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OC){2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cr<9>,1|Mn<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	123.7040	0.000	1	123.7040	0.000	1	123.7040	0.000	1	123.8593	0.060	4	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	125.1590	0.000	1	125.1590	0.000	1	125.8380	2.127	3	125.8380	2.127	3	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	124.8430	0.000	1	124.8430	0.000	1	125.8380	2.127	3	125.8380	2.127	3	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS){1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	127.5120	0.000	1	127.5120	0.000	1	125.8380	2.127	3	125.8380	2.127	3	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	122.1770	0.000	1	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	124.0575	0.122	2	124.0575	0.015	2	123.9667	0.032	3	123.7168	0.271	4	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	123.7850	0.000	1	123.7850	0.000	1	123.9667	0.032	3	123.7168	0.271	4	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	123.7168	0.271	4	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5]C[5]2Fe)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5]C[5]2Fe)(C[6a]C[6a]H){1|S<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){3|C<4>,4|H<1>,5|C<3>}	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	122.0138	2.868	283	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C){3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H){1|H<1>,2|C<3>,2|N<2>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	121.4750	0.000	1	121.4750	0.000	1	121.4750	0.000	1	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	120.7895	0.098	2	120.7895	0.010	2	120.7895	0.010	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	121.2280	0.000	1	121.4690	0.116	2	121.4690	0.116	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	121.7100	0.000	1	121.4690	0.116	2	121.4690	0.116	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]H)(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]H)(C[6a]O[6a]O){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	116.3650	0.000	1	116.3650	0.000	1	116.3650	0.000	1	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	120.9950	0.000	1	120.5637	0.140	3	120.5637	0.140	3	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	120.3310	0.000	1	120.5637	0.140	3	120.5637	0.140	3	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|N<2>,2|C<3>,2|H<1>}	120.3650	0.000	1	120.5637	0.140	3	120.5637	0.140	3	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|O<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|N<2>}	123.6500	0.000	2	123.6500	0.000	2	123.6500	0.000	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	118.5260	0.000	1	118.5260	0.000	1	119.5570	2.126	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	120.5880	0.000	1	120.5880	0.000	1	119.5570	2.126	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]O[6a]O)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]B[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]O[6a]O)(C[6]N[6]H){1|B<4>,1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]B[6a])(O){1|C<3>,1|H<1>,1|N<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	119.9680	0.000	1	119.9680	0.000	1	119.6035	0.266	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)(C[6]N[6]H){2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	119.2390	0.000	1	119.2390	0.000	1	119.6035	0.266	2	120.6446	3.273	15	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|H<1>,2|N<2>}	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|N<3>,3|H<1>,5|C<3>}	123.2600	0.000	1	123.2600	0.000	1	123.2600	0.000	1	124.0555	6.030	12	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O){6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	121.4732	0.310	4	121.4732	0.096	4	121.4732	0.096	4	124.0555	6.030	12	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	122.9050	0.000	1	122.9050	0.000	1	122.9050	0.000	1	124.0555	6.030	12	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.8720	0.327	4	126.8720	0.107	4	126.7212	0.194	5	124.0555	6.030	12	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.1180	0.000	1	126.1180	0.000	1	126.7212	0.194	5	124.0555	6.030	12	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	123.0020	0.000	1	123.0020	0.000	1	123.0020	0.000	1	124.0555	6.030	12	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	122.8280	0.000	1	122.8280	0.000	1	122.8280	0.000	1	122.4255	0.324	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	122.0230	0.000	1	122.0230	0.000	1	122.0230	0.000	1	122.4255	0.324	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6a])(H){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	117.5200	0.317	2	117.5200	0.100	2	117.5200	0.100	2	120.0585	3.926	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6,6a])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]RuO)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]H){1|Ru<8>,1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(O[6a]C[6,6a])(O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]RuO)(H){1|O<1>,2|C<3>,2|O<2>}	121.4355	0.063	2	121.4355	0.004	2	121.4355	0.004	2	120.0585	3.926	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	121.4910	0.000	1	121.4910	0.000	1	121.4910	0.000	1	120.0585	3.926	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.0585	3.926	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]O[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(CCO){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.9430	0.000	1	121.9430	0.000	1	121.9430	0.000	1	121.7825	0.052	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O){7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	121.6220	0.000	1	121.6220	0.000	1	121.6220	0.000	1	121.7825	0.052	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	126.8100	0.000	1	126.5290	0.101	3	126.5290	0.101	3	126.5290	0.101	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){1|N<3>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	126.1850	0.000	1	126.5290	0.101	3	126.5290	0.101	3	126.5290	0.101	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NHH){2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	126.5920	0.000	1	126.5290	0.101	3	126.5290	0.101	3	126.5290	0.101	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|N<2>,1|N<3>,3|C<4>}	123.7955	0.552	2	123.7955	0.305	2	123.7955	0.305	2	123.7955	0.305	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	122.5425	0.005	2	122.5000	0.005	3	122.6580	0.103	4	122.6580	0.103	4	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.4150	0.000	1	122.5000	0.005	3	122.6580	0.103	4	122.6580	0.103	4	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCHH){1|F<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|N<2>}	123.1320	0.000	1	123.1320	0.000	1	122.6580	0.103	4	122.6580	0.103	4	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	123.5650	0.311	2	123.5650	0.097	2	123.5650	0.097	2	123.5650	0.097	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	127.1980	0.000	1	127.1980	0.000	1	127.1980	0.000	1	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|N<3>,4|C<3>}	125.7270	0.000	1	125.7270	0.000	1	125.6013	0.012	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.5385	0.021	2	125.5385	0.000	2	125.6013	0.012	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(Br)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O){1|Br<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(Br){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|Br<1>,1|O<1>,3|C<3>}	121.7765	0.009	2	121.7765	0.000	2	121.7765	0.000	2	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	122.6985	0.435	2	122.6985	0.189	2	122.6985	0.189	2	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.8390	0.000	1	119.8305	0.000	2	119.8305	0.000	2	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.8220	0.000	1	119.8305	0.000	2	119.8305	0.000	2	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	122.7870	0.000	1	123.0093	0.037	3	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	123.1205	0.013	2	123.0093	0.037	3	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.9518	0.437	4	119.9518	0.191	4	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|N<3>,2|H<1>,3|C<3>}	119.7620	0.000	1	119.4524	0.207	15	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|H<1>,3|C<3>}	119.6250	0.024	2	119.4524	0.207	15	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.3030	0.639	5	119.4524	0.207	15	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.4656	0.409	7	119.4524	0.207	15	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	119.5390	0.000	1	119.5390	0.000	1	120.0070	1.611	23	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O){2|C<3>,2|C<4>,2|H<1>}	117.1090	0.000	1	117.1090	0.000	1	117.5460	0.750	6	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	118.4435	0.453	2	117.6334	0.880	5	117.5460	0.750	6	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	117.4030	0.742	2	117.6334	0.880	5	117.5460	0.750	6	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,2|H<1>,3|C<3>}	116.4740	0.000	1	117.6334	0.880	5	117.5460	0.750	6	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	118.2915	0.245	2	118.2915	0.060	2	118.2915	0.060	2	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|Br<1>,1|C<4>,4|C<3>}	123.6690	0.000	1	123.6690	0.000	1	123.6690	0.000	1	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:Br-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br){1|C<4>,1|H<1>,3|C<3>}	123.8160	0.000	1	123.8160	0.000	1	123.8160	0.000	1	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	123.4320	0.000	1	123.7145	0.160	2	123.3683	1.272	7	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	123.9970	0.000	1	123.7145	0.160	2	123.3683	1.272	7	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.3900	0.240	2	124.3900	0.058	2	123.3683	1.272	7	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	121.3720	0.000	1	121.8630	0.482	2	123.3683	1.272	7	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	122.3540	0.000	1	121.8630	0.482	2	123.3683	1.272	7	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>}	123.6430	0.000	1	123.6430	0.000	1	123.3683	1.272	7	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	122.5835	0.129	2	122.0403	0.893	3	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	120.9540	0.000	1	122.0403	0.893	3	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(H){1|H<1>,2|C<3>,2|C<4>}	121.8650	0.000	1	121.8650	0.000	1	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	122.2070	0.000	1	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|H<1>,2|C<3>,2|C<4>}	122.9140	0.000	1	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){2|H<1>,3|C<3>}	122.3938	0.421	13	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Re<6>,1|H<1>,3|C<3>}	125.4120	1.382	2	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Ru<5>,1|H<1>,3|C<3>}	124.2980	0.106	2	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Ru<6>,1|H<1>,3|C<3>}	124.2430	1.230	2	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Zn<4>,1|H<1>,3|C<3>}	123.0055	0.672	2	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){2|H<1>,3|C<3>}	121.5397	0.332	3	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	122.0960	0.233	2	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	122.0355	0.610	2	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|H<1>,1|O<1>,3|C<3>}	123.6250	0.000	1	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Rh<6>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	122.1403	0.123	3	122.7378	1.223	34	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	124.4408	0.363	4	124.4408	0.132	4	122.8294	1.366	42	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	117.9070	0.000	1	117.9070	0.000	1	121.0674	2.193	10	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.0240	0.000	1	119.0240	0.000	1	121.0674	2.193	10	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	121.5030	0.000	3	121.7179	0.313	8	121.0674	2.193	10	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.3490	0.000	3	121.7179	0.313	8	121.0674	2.193	10	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,3|C<3>}	122.5935	0.329	2	121.7179	0.313	8	121.0674	2.193	10	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,4|C<3>}	120.1130	0.000	1	120.1130	0.000	1	120.2393	3.720	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3770	0.000	1	118.3770	0.000	1	120.2393	3.720	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|H<1>,4|C<3>}	122.2280	0.000	1	122.2280	0.000	1	120.2393	3.720	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){2|C<3>,2|C<4>,2|H<1>}	118.2960	0.000	1	118.2960	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	118.4620	0.000	1	118.4620	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	119.0540	0.000	1	119.0540	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	118.5543	0.572	3	118.8533	0.575	4	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	119.7500	0.000	1	118.8533	0.575	4	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a,6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	116.4270	0.000	1	116.4270	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7956	0.406	5	120.7956	0.165	5	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	118.4240	0.000	1	118.4240	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	118.3750	0.000	1	118.3750	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,4|C<3>}	119.5430	0.000	1	119.3483	0.142	3	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,2|C<4>,3|C<3>}	119.2510	0.477	2	119.3483	0.142	3	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,2|C<3>,3|C<4>}	119.3460	0.000	1	119.3460	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.4520	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	119.1063	0.501	3	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	118.9960	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	119.5675	0.275	2	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	118.9830	0.583	2	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	118.6780	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3630	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.1860	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.2880	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	119.5065	0.073	2	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	119.3030	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.0374	0.721	5	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	119.0550	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|H<1>,4|C<3>}	118.3990	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	117.7160	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	119.1890	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	119.1940	0.000	1	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	117.6020	0.178	4	118.8949	0.501	30	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	118.6450	0.000	1	118.0416	0.211	5	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	117.9880	0.000	1	118.0416	0.211	5	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	118.3530	0.000	1	118.0416	0.211	5	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	117.6110	0.102	2	118.0416	0.211	5	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|H<1>,2|C<3>,2|O<2>}	117.6860	0.000	1	117.6860	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0465	0.179	2	121.0465	0.032	2	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<3>}	120.7495	0.081	2	120.7495	0.007	2	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	121.0660	0.277	2	121.0660	0.077	2	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|H<1>,2|C<3>,2|O<2>}	118.7470	0.000	1	119.0162	0.129	4	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.7160	0.000	1	119.0162	0.129	4	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|Rh<4>,1|H<1>,2|C<3>,2|O<2>}	119.3010	0.247	2	119.0162	0.129	4	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|S<2>,4|C<3>}	117.6360	0.000	1	117.6360	0.000	1	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.0980	0.000	1	119.4020	0.185	2	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.7060	0.000	1	119.4020	0.185	2	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0730	0.774	2	119.3287	0.495	3	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8400	0.000	1	119.3287	0.495	3	119.1095	1.084	71	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	120.8662	0.262	6	120.7454	0.281	17	120.7454	0.281	17	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	120.6795	0.633	11	120.7454	0.281	17	120.7454	0.281	17	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,4|C<3>}	119.0000	0.000	1	119.0000	0.000	1	119.2077	0.231	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.8660	0.000	1	119.3115	0.397	2	119.2077	0.231	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<1>,1|S<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	119.7570	0.000	1	119.3115	0.397	2	119.2077	0.231	3	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|S<4>,3|C<3>}	120.9060	0.000	1	120.9060	0.000	1	120.9060	0.000	1	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9940	0.000	1	120.9073	0.185	9	120.5110	0.642	13	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9531	0.465	7	120.9073	0.185	9	120.5110	0.642	13	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>}	120.5000	0.000	1	120.9073	0.185	9	120.5110	0.642	13	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	118.7020	0.000	1	118.7020	0.000	1	120.5110	0.642	13	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.9250	0.501	3	119.9250	0.251	3	120.5110	0.642	13	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	122.6820	0.000	1	122.6820	0.000	1	122.6820	0.000	1	120.6314	4.180	211	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.2470	0.000	1	121.2470	0.000	1	121.5932	2.719	8	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4980	0.000	1	120.4980	0.000	1	121.5932	2.719	8	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2260	0.000	1	120.2260	0.000	1	121.5932	2.719	8	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|N<3>,2|C<3>,2|H<1>}	123.5350	0.000	1	123.5350	0.000	1	121.5932	2.719	8	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	124.7920	0.000	1	124.7920	0.000	1	121.5932	2.719	8	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	120.8160	0.121	3	120.8160	0.015	3	121.5932	2.719	8	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC){1|Ru<6>,1|H<1>,3|C<3>}	122.5590	0.000	1	122.5590	0.000	1	122.8647	0.675	6	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC[6a]){1|Ir<6>,1|H<1>,3|C<3>}	122.5083	0.602	3	122.5083	0.362	3	122.8647	0.675	6	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	123.5520	1.109	2	123.5520	1.229	2	122.8647	0.675	6	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:S-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(SC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(SC[6a]){1|C<4>,2|C<3>,3|H<1>}	122.8570	0.000	1	122.8570	0.000	1	122.8570	0.000	1	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC){1|H<1>,4|C<3>}	119.8340	0.000	1	119.8340	0.000	1	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	119.4340	0.000	1	120.0430	0.742	2	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	120.6520	0.000	1	120.0430	0.742	2	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN){1|C<4>,2|C<3>,3|H<1>}	120.5020	0.000	1	120.5020	0.000	1	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5]){2|C<3>,2|C<4>,2|H<1>}	121.0070	0.000	1	121.0070	0.000	1	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,2|C<3>,3|H<1>}	121.4730	0.000	1	121.3190	0.067	6	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){2|C<3>,2|C<4>,2|H<1>}	121.1855	0.136	2	121.3190	0.067	6	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	121.7660	0.000	1	121.3190	0.067	6	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,1|H<1>,3|C<3>}	121.1660	0.000	1	121.3190	0.067	6	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	121.1380	0.000	1	121.3190	0.067	6	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,2|C<3>,3|H<1>}	119.8800	0.000	1	120.4803	0.422	3	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,1|H<1>,3|C<3>}	121.1700	0.000	1	120.4803	0.422	3	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|H<1>,4|C<3>}	120.3910	0.000	1	120.4803	0.422	3	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	121.9730	0.000	1	121.9730	0.000	1	120.8505	0.528	15	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|In<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){2|H<1>,3|C<3>}	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|I<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){1|H<1>,1|N<2>,3|C<3>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	121.3875	1.989	33	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC){1|H<1>,5|C<3>}	123.6470	0.000	1	123.6470	0.000	1	123.6470	0.000	1	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6])(COO){1|H<1>,2|C<3>,3|C<4>}	122.4240	0.000	1	122.4240	0.000	1	122.4240	0.000	1	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.5100	0.000	1	122.5100	0.000	1	124.3029	1.641	17	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H){1|B<4>,1|H<1>,3|C<3>}	124.1660	0.000	1	124.1660	0.000	1	124.3029	1.641	17	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	121.4740	0.000	1	121.4740	0.000	1	124.3029	1.641	17	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){1|Ni<6>,1|H<1>,3|C<3>}	124.4910	0.000	1	123.5058	1.042	4	124.3029	1.641	17	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){2|H<1>,3|C<3>}	123.1773	0.957	3	123.5058	1.042	4	124.3029	1.641	17	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH){1|H<1>,2|C<3>,2|N<3>}	123.7080	0.000	1	123.7080	0.000	1	124.3029	1.641	17	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	125.2520	0.333	9	125.2520	0.111	9	124.3029	1.641	17	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	123.0490	0.000	2	123.0490	0.000	2	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]I)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|I<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]I)(H){2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	122.9550	0.000	1	122.9550	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH){1|C<4>,2|C<3>,3|H<1>}	121.2830	0.000	1	121.2830	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,4|C<3>}	120.5930	0.000	1	120.5930	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP){1|H<1>,4|C<3>}	122.4790	0.000	1	122.4790	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	124.1150	0.000	1	124.1150	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI){1|H<1>,1|N<2>,3|C<3>}	124.5185	0.122	2	124.5185	0.015	2	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2){1|H<1>,1|N<2>,3|C<3>}	125.0360	0.000	1	125.0360	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	124.8380	0.000	1	124.8380	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	124.5370	0.520	2	124.5370	0.271	2	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,1|N<2>,3|C<3>}	123.0240	0.000	1	123.0240	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI){1|H<1>,1|N<2>,3|C<3>}	123.6480	0.000	1	123.6480	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	123.7650	0.000	1	122.8680	1.609	2	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,2|C<3>,3|O<2>}	121.9710	0.000	1	122.8680	1.609	2	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	124.2330	0.000	1	124.2330	0.000	1	123.4527	1.606	18	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH){1|H<1>,4|C<3>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,4|C<3>}	118.9360	0.000	1	118.9360	0.000	1	120.4868	1.443	6	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.3900	0.000	1	119.3900	0.000	1	120.4868	1.443	6	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.9200	0.000	1	120.9200	0.000	1	120.4868	1.443	6	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.2210	0.000	1	121.2210	0.000	1	120.4868	1.443	6	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<3>,3|C<3>}	120.2830	0.000	1	120.2830	0.000	1	120.4868	1.443	6	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	122.1710	0.000	1	122.1710	0.000	1	120.4868	1.443	6	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C){1|B<4>,1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|O<1>,1|O<2>,2|F<1>,2|N<3>}	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	123.2897	3.019	45	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	123.0885	0.548	2	123.0885	0.300	2	122.5243	0.605	6	122.6146	0.561	7	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	121.7160	0.000	1	121.7160	0.000	1	122.5243	0.605	6	122.6146	0.561	7	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	122.8905	0.238	2	122.8905	0.057	2	122.5243	0.605	6	122.6146	0.561	7	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3){1|H<1>,2|C<3>,2|N<3>}	121.4720	0.000	1	121.4720	0.000	1	122.5243	0.605	6	122.6146	0.561	7	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]N){1|B<4>,1|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	122.6146	0.561	7	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	125.4945	0.375	2	125.4945	0.141	2	125.4945	0.141	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	125.8700	0.000	1	125.8700	0.000	1	125.8700	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.5375	0.961	2	128.5375	0.923	2	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	127.2895	0.254	2	127.2895	0.064	2	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2835	0.090	2	124.6937	1.604	33	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.3097	1.668	6	124.6937	1.604	33	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.8470	1.383	2	124.6937	1.604	33	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5527	1.198	17	124.6937	1.604	33	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.2295	0.461	6	124.6937	1.604	33	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	126.5720	0.202	2	129.2195	4.310	6	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<12>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H){1|Ru<12>,1|H<1>,2|C<3>,2|C<4>}	130.5433	0.400	4	129.2195	4.310	6	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5230	0.000	1	124.6142	0.852	15	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0570	0.170	2	124.6142	0.852	15	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2400	0.000	1	124.6142	0.852	15	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8382	0.583	5	124.6142	0.852	15	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.5242	0.599	6	124.6142	0.852	15	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.7370	0.549	7	125.6661	1.098	27	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.8530	0.390	3	125.6661	1.098	27	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	126.0880	0.185	2	125.6661	1.098	27	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2828	0.477	6	125.6661	1.098	27	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Nb<7>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	126.5060	0.054	2	125.6661	1.098	27	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.3610	0.000	1	125.6661	1.098	27	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	126.6703	0.463	6	125.6661	1.098	27	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]P[6]Si)(H)	C[6,6a](C[5,6,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]P[6]Si)(H){1|H<1>,1|P<4>,3|C<3>}	123.2860	0.000	1	123.2860	0.000	1	125.4343	3.067	86	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,5|C<3>}	126.8530	0.000	1	127.7537	0.954	9	127.7537	0.954	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	128.3270	0.545	6	127.7537	0.954	9	127.7537	0.954	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	126.4840	0.380	2	127.7537	0.954	9	127.7537	0.954	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	124.7310	0.000	1	124.7310	0.000	1	124.7310	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	129.5390	0.000	1	129.5390	0.000	1	129.5390	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	129.6180	0.000	1	129.6180	0.000	1	129.6180	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	130.3850	0.000	1	130.3850	0.000	1	128.2492	2.442	46	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	127.6762	0.528	6	128.2017	2.392	45	128.2492	2.442	46	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.9010	0.000	1	128.2017	2.392	45	128.2492	2.442	46	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	128.1963	1.621	37	128.2017	2.392	45	128.2492	2.442	46	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	130.8560	0.000	1	128.2017	2.392	45	128.2492	2.442	46	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	129.6890	0.757	2	129.6890	0.572	2	129.6890	0.572	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(H){1|B<3>,2|H<1>,4|C<3>}	122.1947	0.613	4	122.1947	0.376	4	122.1947	0.376	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(O)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(O){1|B<3>,2|H<1>,4|C<3>}	119.0965	0.057	2	119.0965	0.003	2	120.0353	2.646	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	121.9130	0.000	1	121.9130	0.000	1	120.0353	2.646	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.6040	0.000	1	121.6040	0.000	1	121.6040	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	124.1060	0.000	1	124.1060	0.000	1	124.1060	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]Br){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br){1|C<4>,2|H<1>,3|C<3>}	123.1350	0.000	1	123.1350	0.000	1	123.1350	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.2535	0.936	2	122.2535	0.875	2	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6450	0.393	2	122.6450	0.155	2	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4475	0.144	2	122.4803	1.392	9	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.8020	0.000	1	122.4803	1.392	9	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1043	1.288	6	122.4803	1.392	9	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<11>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	122.3670	0.035	2	122.3670	0.001	2	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H){2|C<3>,2|C<4>,2|H<1>}	121.2730	0.000	1	121.2730	0.000	1	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5]O[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5]O[6])(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	123.2320	0.000	1	123.2320	0.000	1	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.7220	0.000	1	122.1820	0.583	2	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.6420	0.000	1	122.1820	0.583	2	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	118.3450	0.000	1	120.6070	3.930	3	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.7380	0.430	2	120.6070	3.930	3	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	124.6750	0.000	1	124.6750	0.000	1	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.4740	0.000	1	121.7100	2.924	5	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8200	0.000	1	121.7100	2.924	5	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2120	0.000	1	121.7100	2.924	5	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.0220	0.578	2	121.7100	2.924	5	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	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[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.5190	0.000	1	122.5190	0.000	1	122.1823	1.801	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	122.5610	0.165	2	122.5610	0.027	2	119.4372	5.995	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	117.8140	0.552	2	117.8140	0.304	2	119.4372	5.995	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	117.9365	0.595	2	117.9365	0.354	2	119.4372	5.995	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.1113	0.439	3	119.0683	0.136	4	118.9704	0.150	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.9390	0.000	1	119.0683	0.136	4	118.9704	0.150	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	118.5790	0.000	1	118.5790	0.000	1	118.9704	0.150	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S)	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S){2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O){2|S<1>,3|N<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S){2|O<1>,3|N<3>}	119.9750	0.000	1	119.9750	0.000	1	119.9750	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.3300	0.274	2	119.3300	0.075	2	119.3300	0.075	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O){2|H<1>,5|C<3>}	118.6487	0.261	3	118.6487	0.068	3	118.6487	0.068	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.1520	0.000	1	119.5705	0.350	2	119.5705	0.350	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.9890	0.000	1	119.5705	0.350	2	119.5705	0.350	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.1970	0.000	1	118.1970	0.000	1	119.4474	0.396	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.2580	0.000	1	119.2580	0.000	1	119.4474	0.396	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	119.9810	0.000	1	119.7354	0.091	5	119.4474	0.396	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	119.2290	0.000	1	119.7354	0.091	5	119.4474	0.396	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	119.7660	0.064	2	119.7354	0.091	5	119.4474	0.396	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	119.9350	0.000	1	119.7354	0.091	5	119.4474	0.396	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	119.8970	0.000	1	119.8970	0.000	1	119.8970	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|Si<4>,1|C<4>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.3865	0.062	2	120.3865	0.004	2	120.3865	0.004	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.8565	0.057	2	118.8565	0.003	2	118.4033	0.618	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O){1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.4970	0.000	1	117.4970	0.000	1	118.4033	0.618	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	122.4925	0.105	2	122.5473	0.082	4	122.5473	0.082	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	122.6020	0.471	2	122.5473	0.082	4	122.5473	0.082	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<3>,2|H<1>,3|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.1727	0.191	3	120.1727	0.036	3	119.8242	0.251	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<3>,2|H<1>,3|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.3015	0.138	2	119.3015	0.019	2	119.8242	0.251	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Br)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Br)(Br)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Br)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Br)(Br){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Br<1>,1|O<1>,3|C<3>}	121.9110	0.780	4	121.9110	0.608	4	121.9110	0.608	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(Cl)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(Cl){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.0630	0.000	1	122.0630	0.000	1	122.0998	0.420	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	122.5350	0.000	1	122.5350	0.000	1	122.0998	0.420	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.2000	0.129	2	122.2000	0.017	2	122.0998	0.420	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	122.5200	0.372	4	122.5200	0.138	4	122.0998	0.420	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.8220	0.000	1	121.7741	0.632	7	122.0998	0.420	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.7662	0.871	6	121.7741	0.632	7	122.0998	0.420	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	119.3160	0.000	1	119.3160	0.000	1	120.3161	0.957	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[5])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[5])(O){1|H<1>,2|S<2>,4|C<3>}	119.5470	0.000	1	119.5470	0.000	1	120.3161	0.957	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	119.5410	0.000	1	119.5410	0.000	1	120.3161	0.957	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.9160	0.000	1	120.9522	0.643	4	120.3161	0.957	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.0250	0.229	2	120.9522	0.643	4	120.3161	0.957	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.8430	0.000	1	120.9522	0.643	4	120.3161	0.957	7	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	122.2350	0.534	9	122.2350	0.285	9	122.3942	0.382	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]Ru)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<6>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]Ru)(H){2|H<1>,3|C<3>}	123.1105	0.537	2	123.1105	0.288	2	122.3942	0.382	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Br)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.1720	0.040	2	119.1720	0.002	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.9170	0.000	1	118.9170	0.000	1	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<2>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.5760	0.000	1	118.8610	0.162	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.1460	0.000	1	118.8610	0.162	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C[5])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C[5])(H){1|Fe<10>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.7220	2.602	2	121.7220	6.771	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.6764	0.770	10	119.6764	0.592	10	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.4835	0.342	2	119.4835	0.117	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.6076	0.483	11	119.6076	0.233	11	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.9450	1.379	21	119.9450	1.903	21	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	118.3220	0.037	2	119.0456	0.281	8	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.2868	0.338	6	119.0456	0.281	8	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]I)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|I<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]I)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	118.9650	0.423	2	118.9650	0.179	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]N[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]N[6])(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.2180	0.522	2	119.2180	0.272	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.7185	0.479	2	118.7185	0.229	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.0010	0.000	1	119.0010	0.000	1	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.2620	0.000	1	119.2620	0.000	1	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]Cl)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]Cl)(H){1|Se<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.7398	0.270	4	119.7398	0.073	4	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.1445	0.299	2	121.1445	0.089	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]C)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.9875	0.234	2	118.9875	0.055	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Cl)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]Cl)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.6980	0.000	1	118.6980	0.000	1	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.1488	1.276	31	119.8925	1.272	45	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	119.3251	0.208	14	119.8925	1.272	45	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.9577	0.399	12	119.9577	0.159	12	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	119.3783	0.063	3	119.3783	0.004	3	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.9295	0.295	2	119.9295	0.087	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]N)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]N)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.0845	0.169	2	119.0845	0.029	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]P)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]P)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.6497	0.185	3	118.6497	0.034	3	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]Br)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.8040	0.000	1	119.8040	0.000	1	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.1890	0.000	1	121.1890	0.000	1	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.5330	0.634	2	119.5330	0.401	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	118.7730	0.000	1	119.2185	0.397	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	119.6640	0.000	1	119.2185	0.397	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.7865	0.301	6	119.4432	0.635	12	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.1195	0.431	2	119.4432	0.635	12	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	119.2340	0.197	2	119.4432	0.635	12	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	117.9465	0.349	2	119.4432	0.635	12	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	115.5765	3.555	2	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.4488	0.697	4	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.6318	0.643	258	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.4670	0.000	1	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.0610	0.421	11	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.7430	0.731	2	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|S<3>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.8450	0.167	4	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.8760	0.000	1	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.4940	0.571	12	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.0961	0.528	29	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|Se<3>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.4585	0.006	2	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.8210	0.052	2	119.6344	0.562	328	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	120.2335	0.144	2	120.2335	0.021	2	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	119.4397	0.813	3	119.4111	0.448	10	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	120.7390	0.000	1	119.4111	0.448	10	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	119.1755	0.349	6	119.4111	0.448	10	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	118.9230	0.000	1	119.5178	0.185	50	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	119.5675	0.419	2	119.5178	0.185	50	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.5380	0.390	42	119.5178	0.185	50	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|S<3>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	118.6510	0.168	2	119.5178	0.185	50	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.9777	0.256	3	119.5178	0.185	50	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]Ir)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Ir<6>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]Ir)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.5863	0.143	3	119.5863	0.021	3	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.7042	0.338	5	119.5488	0.236	6	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N)(H){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.7720	0.000	1	119.5488	0.236	6	119.6361	0.641	560	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]S){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,1|S<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	121.0575	0.387	4	121.0575	0.150	4	121.0575	0.150	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	120.4090	0.000	1	120.4090	0.000	1	120.4090	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.0660	0.649	4	120.0660	0.421	4	119.8362	0.580	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	118.9170	0.000	1	118.9170	0.000	1	119.8362	0.580	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Br<1>,1|H<1>,5|C<3>}	122.3420	0.000	1	122.3420	0.000	1	122.3420	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,5|C<3>}	122.6490	0.000	1	122.6490	0.000	1	122.2680	0.986	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|N<3>,5|C<3>}	122.4623	0.379	3	122.1918	1.189	5	122.2680	0.986	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	120.3860	0.000	1	122.1918	1.189	5	122.2680	0.986	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	123.1860	0.000	1	122.1918	1.189	5	122.2680	0.986	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.8070	0.000	1	120.8070	0.000	1	120.8070	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,5|C<3>}	121.3040	0.000	1	121.4215	0.028	2	121.4215	0.028	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,5|C<3>}	121.5390	0.000	1	121.4215	0.028	2	121.4215	0.028	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	121.8420	0.000	1	121.8420	0.000	1	120.7530	2.372	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	119.6640	0.000	1	119.6640	0.000	1	120.7530	2.372	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	116.8820	0.588	2	116.8820	0.346	2	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	117.6090	0.000	1	117.6090	0.000	1	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	117.8930	0.000	1	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	118.6970	0.000	1	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	118.9832	0.477	9	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	118.0460	0.000	1	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,5|C<3>}	118.9520	0.079	2	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	118.8343	0.129	3	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|H<1>,4|C<3>}	118.5655	0.363	2	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.0650	0.000	1	118.7544	0.229	20	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	118.9002	0.708	4	118.9002	0.501	4	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	117.7150	0.000	1	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.7270	0.000	1	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	118.6560	0.518	8	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	119.0620	0.587	8	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	119.3740	0.192	2	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.7023	0.435	3	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	118.2930	0.382	5	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<2>,4|C<3>}	117.8110	0.000	1	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	118.7144	0.073	5	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	119.3020	0.000	1	118.7197	0.301	35	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	118.6098	0.964	5	118.6098	0.928	5	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	119.5070	0.368	2	119.5070	0.135	2	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	118.8920	0.000	1	118.5523	0.120	4	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	118.4390	0.321	3	118.5523	0.120	4	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.5950	0.018	2	119.5020	0.026	3	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.3160	0.000	1	119.5020	0.026	3	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	118.9230	0.000	1	118.9230	0.000	1	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	119.1600	0.000	1	119.1600	0.000	1	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	119.4640	0.000	1	119.4640	0.000	1	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.9850	0.000	1	118.9850	0.000	1	118.7320	0.417	80	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S){1|H<1>,1|O<2>,4|C<3>}	121.4880	0.000	1	121.4880	0.000	1	121.4880	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.0040	0.000	1	121.0040	0.000	1	123.2751	0.583	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	123.3358	0.491	9	123.3340	0.215	10	123.2751	0.583	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	123.3180	0.000	1	123.3340	0.215	10	123.2751	0.583	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	123.7590	0.000	1	123.7590	0.000	1	123.2751	0.583	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.8330	0.000	1	123.6743	0.163	3	123.2751	0.583	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	123.5950	0.536	2	123.6743	0.163	3	123.2751	0.583	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O){1|Pt<4>,1|H<1>,5|C<3>}	117.7510	0.000	1	117.7510	0.000	1	117.9190	0.056	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	118.0870	0.000	1	118.0870	0.000	1	117.9190	0.056	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.5380	0.233	2	119.5380	0.054	2	119.5380	0.054	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[3,4]C[4,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[3,4]C[4,6])(O){1|H<1>,3|C<3>,3|C<4>}	118.7092	0.451	4	118.7092	0.203	4	118.7092	0.203	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]C[5])(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.2970	0.000	1	120.2970	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	121.5430	0.000	1	121.5430	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	122.7465	0.182	2	122.7465	0.033	2	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	120.9065	0.100	2	120.9713	0.018	3	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	121.1010	0.000	1	120.9713	0.018	3	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	119.6440	0.000	1	119.6440	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	121.6810	0.000	1	121.2185	0.488	4	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	120.7650	0.000	1	121.2185	0.488	4	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	120.4910	0.000	1	121.2185	0.488	4	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|H<1>,7|C<3>}	121.9370	0.000	1	121.2185	0.488	4	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	122.0080	0.000	1	122.0080	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.7680	0.000	1	121.7680	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	123.0370	0.000	1	123.0370	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|N<3>,3|C<3>,3|H<1>}	120.2385	0.063	2	120.2385	0.004	2	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.9700	0.000	1	122.9700	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	123.4550	0.000	1	123.4550	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.1280	0.000	1	123.1280	0.000	1	121.5804	1.320	20	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|H<1>,3|C<4>,4|C<3>}	118.2950	0.000	1	118.2950	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	118.9150	0.000	1	118.9150	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.5980	0.000	1	119.5980	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,2|S<2>,3|C<3>}	118.5900	0.000	1	118.5900	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	119.0520	0.000	1	119.0520	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	118.9200	0.000	1	118.9200	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	119.5940	0.092	2	119.5940	0.008	2	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,5|C<3>}	119.4800	0.000	1	119.4695	0.000	2	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,6|C<3>}	119.4590	0.000	1	119.4695	0.000	2	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.5620	0.000	1	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.4310	0.000	1	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.1170	0.000	1	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.9310	0.480	3	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.5357	0.095	3	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	119.5164	0.752	8	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,6|C<3>}	119.0250	0.000	1	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	118.7200	0.000	1	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	117.7080	0.000	1	119.4547	0.495	20	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	118.0600	0.000	1	118.0600	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	118.1050	0.748	2	117.9793	1.448	19	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	114.7170	0.000	1	117.9793	1.448	19	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	119.3600	0.000	1	117.9793	1.448	19	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.9670	0.091	2	117.9793	1.448	19	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	118.1950	0.404	12	117.9793	1.448	19	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|N<3>,2|H<1>,4|C<3>}	115.0460	0.000	1	117.9793	1.448	19	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	119.3500	0.311	3	119.3500	0.097	3	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	119.1099	0.498	8	119.2029	0.295	9	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,4|C<3>}	119.9470	0.000	1	119.2029	0.295	9	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,5|C<3>}	118.1680	0.000	1	118.1680	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	119.7420	0.000	1	119.7420	0.000	1	118.8913	1.051	64	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.1590	0.000	1	118.8120	0.223	4	118.8120	0.223	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	118.4050	0.008	2	118.8120	0.223	4	118.8120	0.223	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	119.2790	0.000	1	118.8120	0.223	4	118.8120	0.223	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	119.8730	0.000	1	119.8730	0.000	1	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	121.9140	0.000	1	121.9140	0.000	1	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	122.6220	0.000	1	122.6220	0.000	1	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Fe<5>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.3370	0.000	1	121.3370	0.000	1	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	124.4120	0.402	2	124.4120	0.161	2	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.2490	0.000	1	123.5955	0.240	2	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	123.9420	0.000	1	123.5955	0.240	2	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	123.5750	0.000	1	124.4668	0.514	11	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,4|C<3>}	124.2080	0.000	1	124.4668	0.514	11	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	125.1285	0.525	4	124.4668	0.514	11	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	124.0235	0.529	4	124.4668	0.514	11	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.7440	0.000	1	124.4668	0.514	11	123.7314	2.089	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.2100	0.000	1	119.2100	0.000	1	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.2020	0.000	1	119.2020	0.000	1	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.2050	0.000	1	119.9447	0.103	4	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){2|C<4>,2|H<1>,4|C<3>}	120.2380	0.000	1	119.9447	0.103	4	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<2>,5|C<3>}	119.6970	0.000	1	119.9447	0.103	4	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	119.6390	0.000	1	119.9447	0.103	4	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,1|V<7>,4|C<3>}	119.4290	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	119.6520	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.7059	0.533	10	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.8510	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	120.0250	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	120.1105	0.146	2	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.3220	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.8240	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	119.5874	0.560	5	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	119.4570	0.289	4	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|W<10>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.8040	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	119.2560	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.4890	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	119.4730	0.675	2	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.4090	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	118.8790	0.000	1	119.6156	0.226	34	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	119.3370	0.000	2	119.3370	0.000	2	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<3>,4|C<3>}	119.8060	0.000	1	119.7190	0.036	7	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	119.6378	0.137	5	119.7190	0.036	7	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<2>,5|C<3>}	120.0380	0.000	1	119.7190	0.036	7	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	119.5588	0.367	5	119.6973	0.142	16	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	119.7603	0.382	11	119.6973	0.142	16	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O){1|H<1>,1|S<2>,4|C<3>}	119.6205	0.336	2	119.6205	0.113	2	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	117.9115	0.415	2	118.5514	0.405	5	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	118.9160	0.246	2	118.5514	0.405	5	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	119.1020	0.000	1	118.5514	0.405	5	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	119.4860	0.000	1	119.4860	0.000	1	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.8770	0.000	1	121.0864	0.324	5	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.9920	0.000	2	121.0864	0.324	5	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,2|O<2>,4|C<3>}	120.7855	0.687	2	121.0864	0.324	5	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.1300	0.000	1	122.1300	0.000	1	119.6966	0.468	79	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Br){1|C<4>,2|H<1>,4|C<3>}	123.2281	0.200	8	123.2281	0.040	8	123.2281	0.040	8	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl){1|H<1>,1|N<3>,4|C<3>}	123.5195	0.787	2	123.5195	0.619	2	124.7395	1.002	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	124.4663	0.262	4	124.5120	0.062	5	124.7395	1.002	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	124.6950	0.000	1	124.5120	0.062	5	124.7395	1.002	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	125.2750	0.000	1	125.2750	0.000	1	124.7395	1.002	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|O<2>,2|H<1>,4|C<3>}	126.2605	0.011	2	126.2605	0.000	2	124.7395	1.002	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	125.3615	0.528	2	125.3615	0.279	2	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	125.4750	0.000	1	125.4750	0.000	1	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	122.5190	0.000	1	122.5190	0.000	1	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	121.3595	0.352	4	121.3595	0.124	4	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	125.4540	0.000	1	125.4540	0.000	1	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|Ge<3>,2|H<1>,4|C<3>}	118.4620	0.321	2	118.4620	0.103	2	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|Ru<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	123.2270	0.000	1	123.2270	0.000	1	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	122.1560	0.000	1	122.1560	0.000	1	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.7165	0.305	6	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	121.5430	0.633	10	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.5728	0.557	6	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	121.7410	0.000	1	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	121.2710	0.694	2	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.9205	0.206	2	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	123.0090	0.223	2	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Hg<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.2755	0.062	2	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	124.1280	0.000	1	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	124.0540	0.000	1	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	123.2640	0.017	2	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.7144	0.354	14	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	125.6245	0.786	2	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	122.6013	0.767	12	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	120.3383	0.857	4	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	124.6783	0.781	3	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	123.1012	0.666	53	122.7869	1.016	123	122.7552	1.469	136	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	117.1365	0.442	2	117.1365	0.195	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.6875	0.138	2	118.4381	0.083	8	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.2338	0.190	4	118.4381	0.083	8	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.3640	0.000	1	118.4381	0.083	8	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.8310	0.000	1	118.4381	0.083	8	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.0740	0.361	2	117.7620	0.357	3	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	117.1380	0.000	1	117.7620	0.357	3	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.2445	1.620	2	119.2445	2.624	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	115.8285	0.419	2	117.0991	0.901	8	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	117.8915	0.181	4	117.0991	0.901	8	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	116.7850	0.308	2	117.0991	0.901	8	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	117.6570	0.000	1	117.6570	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.1275	0.658	4	118.6792	1.541	27	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.5535	0.189	4	118.6792	1.541	27	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.3223	0.497	6	118.6792	1.541	27	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.1869	0.582	8	118.6792	1.541	27	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.0237	0.707	3	118.6792	1.541	27	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.0575	1.914	2	118.6792	1.541	27	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	120.3440	0.000	1	120.3440	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	116.8415	0.103	2	117.5755	0.729	4	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.3095	0.148	2	117.5755	0.729	4	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	117.9855	1.261	2	117.9855	1.590	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	118.8570	0.000	1	118.2420	0.377	5	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	118.8600	0.000	1	118.2420	0.377	5	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	117.4610	0.000	1	118.2420	0.377	5	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	118.0160	0.192	2	118.2420	0.377	5	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	120.7430	0.000	1	120.7430	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	119.7620	0.000	1	119.7620	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	117.1385	0.168	2	117.1385	0.028	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	117.7320	0.000	1	117.7320	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[3x3]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<7>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[3x3]C[6a])(H){1|O<1>,2|C<7>,2|H<1>,2|H<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.2100	0.000	1	120.2100	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.1366	0.631	10	119.1366	0.398	10	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.1615	0.312	6	119.1615	0.097	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.2200	0.929	2	117.2200	0.863	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.6640	0.000	1	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	119.1715	0.090	2	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.4840	0.596	4	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.9130	0.000	1	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.1027	0.629	3	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.1722	0.626	10	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.2980	0.000	1	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.0835	0.193	2	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.5690	0.181	2	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.5075	0.310	2	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.5315	1.348	2	119.3856	0.392	30	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H){1|Fe<10>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.0960	1.099	2	118.9113	0.278	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.8190	0.162	4	118.9113	0.278	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.2900	0.000	1	119.2900	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.1500	0.000	1	119.2339	0.266	15	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	119.3113	0.436	14	119.2339	0.266	15	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	119.1645	0.268	2	119.1645	0.072	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	119.1610	0.099	2	119.6232	0.408	4	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	120.0855	0.599	2	119.6232	0.408	4	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	120.9330	0.363	2	120.9330	0.132	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O){1|H<1>,2|S<2>,3|C<3>}	119.7105	0.050	2	119.7105	0.003	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O){1|C<4>,1|H<1>,4|C<3>}	120.1370	0.000	1	120.1370	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	118.2790	0.800	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.9100	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.8100	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.0682	0.648	6	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.2235	0.330	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.4677	0.510	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.7200	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.2540	0.728	10	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.6382	0.748	8	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	117.9020	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.9863	0.212	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.5743	1.007	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.8520	0.690	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	117.2400	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	117.0178	0.749	5	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.8008	0.763	15	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	116.5150	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.2400	1.014	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	118.8665	0.097	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	117.1675	0.466	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	118.0875	1.095	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.8801	1.077	29	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.0760	1.858	5	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.4410	0.025	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	117.1643	0.417	7	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.5593	0.685	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	117.5980	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	118.2470	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	118.5204	0.451	5	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.2622	0.751	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.6030	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.7400	1.114	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.2520	1.000	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.7890	0.273	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.5627	0.827	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.0637	0.405	16	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.4900	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.2007	0.757	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.8393	0.332	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Br<1>,1|H<1>,5|C<3>}	119.7900	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	119.2885	0.832	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.2810	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,5|C<3>}	119.3470	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	118.7243	0.264	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	119.4463	0.280	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	119.3680	0.506	23	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.3731	0.527	56	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	119.5920	0.447	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	119.2037	0.218	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	119.6058	0.600	10	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	119.3287	0.503	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.5898	0.452	145	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.8337	0.250	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.7180	0.304	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.8450	0.249	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.5635	0.227	18	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.7790	0.820	22	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.2810	1.422	3	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.5401	0.673	8	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.5770	0.294	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.8802	0.150	6	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.8565	0.426	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.2915	0.156	2	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.1060	0.518	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|I<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.5290	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.0550	0.160	6	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.4250	0.696	4	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.2344	0.481	25	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.3630	0.000	1	119.2075	0.750	540	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	118.6750	0.000	1	119.2207	0.581	4	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	119.8755	0.066	2	119.2207	0.581	4	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	118.4570	0.000	1	119.2207	0.581	4	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.5935	0.177	2	119.1057	0.232	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.0890	0.204	2	119.1057	0.232	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.6345	0.023	2	119.1057	0.232	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.2090	0.014	2	119.2090	0.000	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	117.9560	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.5315	0.124	2	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.6740	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	118.0860	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.8225	0.083	2	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.8877	0.837	4	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	118.9800	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.4050	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.1875	0.177	4	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.2030	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.0400	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	116.6780	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.0372	0.807	10	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.1835	0.062	2	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.2880	0.000	1	118.2745	0.565	33	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.3058	0.479	17	119.3058	0.230	17	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	116.9480	0.000	1	116.9480	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	116.5310	0.000	1	118.1227	0.766	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	118.8600	0.000	1	118.1227	0.766	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	118.6085	0.448	2	118.1227	0.766	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	118.0640	0.267	2	118.1227	0.766	6	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	118.3230	0.000	1	118.3230	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	120.4400	0.000	1	120.4400	0.000	1	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	119.4890	0.027	2	119.4890	0.001	2	119.0845	0.866	763	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	121.3600	0.028	2	121.3600	0.001	2	121.3600	0.001	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[3x6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	117.4263	0.488	3	117.4263	0.239	3	116.6498	0.954	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[3x6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	115.8733	0.581	3	115.8733	0.337	3	116.6498	0.954	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,1|P<2>,2|C<3>,2|O<2>,3|H<1>}	117.1475	0.405	2	117.1475	0.164	2	117.1630	0.122	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<2>}	117.4370	0.157	2	117.4370	0.025	2	117.1630	0.122	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	116.9045	0.367	2	116.9045	0.135	2	117.1630	0.122	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	119.1600	0.000	1	119.1600	0.000	1	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.1155	0.394	2	120.4660	1.343	3	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.1670	0.000	1	120.4660	1.343	3	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|N<3>,5|C<3>}	119.2517	0.070	3	119.2517	0.005	3	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	118.5390	0.000	1	118.5390	0.000	1	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.7690	0.000	1	120.7690	0.000	1	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	120.8400	0.000	1	120.8675	0.002	2	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|O<2>,6|C<3>}	120.8950	0.000	1	120.8675	0.002	2	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	120.0050	0.000	1	120.0050	0.000	1	119.9468	0.903	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O){1|N<2>,2|H<1>,4|C<3>}	118.1900	0.000	1	118.1900	0.000	1	118.6125	0.357	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O){1|H<1>,1|N<3>,5|C<3>}	119.0350	0.000	1	119.0350	0.000	1	118.6125	0.357	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	119.6060	0.000	1	119.6060	0.000	1	118.0563	1.846	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	117.2815	0.301	2	117.2815	0.090	2	118.0563	1.846	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	116.8215	0.047	2	116.8215	0.002	2	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	119.2627	0.249	3	119.2627	0.062	3	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.5775	0.039	2	119.6754	0.873	9	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.3580	0.000	1	119.6754	0.873	9	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.7220	1.575	2	119.6754	0.873	9	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.2230	0.000	1	119.6754	0.873	9	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.6330	0.188	3	119.6754	0.873	9	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.7860	0.000	1	120.7860	0.000	1	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.9675	0.210	2	119.9675	0.044	2	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	117.3790	0.106	2	117.3790	0.011	2	119.1573	1.712	19	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	122.6220	0.000	1	120.5270	8.778	2	120.5270	8.778	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	118.4320	0.000	1	120.5270	8.778	2	120.5270	8.778	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[4,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H){1|Nb<7>,1|H<1>,2|C<3>,5|O<2>}	118.3650	0.054	2	118.3650	0.003	2	118.3650	0.003	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,5|C<3>}	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	116.4985	0.293	2	116.4985	0.086	2	116.0040	1.666	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<2>}	115.2850	0.544	2	116.2300	1.448	4	116.0040	1.666	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|Si<4>,1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<2>}	117.1750	0.689	2	116.2300	1.448	4	116.0040	1.666	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](N[5,6]In[5,5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,1|N<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]In[5,5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|O<2>,2|S<2>,3|C<3>}	116.5965	0.276	2	116.5965	0.076	2	116.0040	1.666	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](N[5,6]In[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<5>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]In[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	114.5330	0.293	4	114.5330	0.086	4	116.0040	1.666	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](N[5,6]In[3x5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Cl<1>,1|In<6>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]In[3x5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	116.0250	0.935	2	116.0250	0.874	2	116.0040	1.666	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Si<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|O<2>,6|C<3>}	118.7680	0.000	1	118.7680	0.000	1	116.0040	1.666	15	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.5400	0.000	1	117.2155	0.211	2	118.5353	2.416	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	116.8910	0.000	1	117.2155	0.211	2	118.5353	2.416	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.8550	0.266	2	119.8550	0.071	2	118.5353	2.416	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	121.9980	0.000	1	122.5083	0.120	4	122.5083	0.120	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|F<1>,1|H<1>,2|O<2>,4|C<3>}	122.6830	0.113	2	122.5083	0.120	4	122.5083	0.120	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	122.6690	0.000	1	122.5083	0.120	4	122.5083	0.120	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	118.7110	0.000	1	118.7110	0.000	1	118.0200	0.955	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	117.3290	0.000	1	117.3290	0.000	1	118.0200	0.955	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	120.4420	0.000	1	120.4420	0.000	1	120.4420	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|C<4>}	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	118.1105	0.115	2	117.9522	0.486	4	117.9522	0.486	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.7940	1.160	2	117.9522	0.486	4	117.9522	0.486	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	116.9430	0.000	1	116.9430	0.000	1	116.9430	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.2640	0.389	2	118.2640	0.151	2	118.0940	0.386	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.9240	0.945	2	117.9240	0.892	2	118.0940	0.386	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7795	0.237	2	120.7795	0.056	2	121.2548	1.830	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7610	0.000	1	121.7610	0.000	1	121.2548	1.830	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	119.6800	0.000	1	119.6800	0.000	1	121.2548	1.830	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.2740	0.000	1	123.2740	0.000	1	121.2548	1.830	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O){2|C<4>,3|C<3>,4|H<1>}	119.0570	0.000	1	119.0570	0.000	1	119.0570	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	117.5385	1.162	2	117.3865	0.554	4	117.7456	1.060	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	117.2345	0.469	2	117.3865	0.554	4	117.7456	1.060	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	119.1820	0.000	1	119.1820	0.000	1	117.7456	1.060	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.4155	0.271	4	117.4155	0.073	4	117.4155	0.073	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	122.6730	0.000	1	122.6730	0.000	1	123.1433	0.099	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.9000	0.000	1	122.9000	0.000	1	123.1433	0.099	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.0720	0.000	1	123.2430	0.058	2	123.1433	0.099	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.4140	0.000	1	123.2430	0.058	2	123.1433	0.099	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.3520	0.000	1	123.3520	0.000	1	123.1433	0.099	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.4490	0.000	1	123.4490	0.000	1	123.1433	0.099	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.3945	0.019	2	118.3945	0.000	2	118.3945	0.000	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	121.2690	0.000	1	121.2690	0.000	1	121.2690	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	123.4720	0.000	1	123.4720	0.000	1	123.4720	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.9455	0.118	2	118.9455	0.014	2	118.9437	0.016	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.9420	0.181	2	118.9420	0.033	2	118.9437	0.016	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	122.0750	0.000	1	122.0750	0.000	1	122.0750	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>}	124.4920	0.000	1	124.4920	0.000	1	124.4920	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Br<1>,1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	125.6970	0.342	2	125.6970	0.117	2	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	125.1370	0.311	2	125.1370	0.097	2	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	125.9690	0.000	1	125.9690	0.000	1	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	124.2410	0.000	1	124.2410	0.000	1	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Br<1>,1|C<4>,3|C<3>}	124.7395	0.234	2	124.2103	0.867	3	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Br<1>,1|C<4>,3|C<3>}	123.1520	0.000	1	124.2103	0.867	3	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	124.7800	1.031	2	125.2007	1.062	3	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	126.0420	0.000	1	125.2007	1.062	3	125.0092	0.781	12	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	123.7370	0.000	1	123.7370	0.000	1	123.7370	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	124.8120	0.000	1	124.8120	0.000	1	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Al<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	127.1317	0.464	4	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	126.5150	0.000	1	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Fe<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	126.7457	0.383	6	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	125.1640	0.537	3	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Os<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	125.0290	0.000	1	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	125.0200	0.000	1	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	126.0990	0.436	3	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	125.6757	0.620	3	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Re<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	125.2560	0.000	1	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Rh<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	126.1760	0.000	1	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Sn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	125.9900	0.389	2	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Zn<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	125.3790	0.000	1	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	125.5400	0.000	1	126.0969	0.639	28	126.0526	0.673	29	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|H<1>,3|C<3>}	123.2630	0.000	1	123.2630	0.000	1	123.2630	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	122.4340	0.000	1	122.4340	0.000	1	123.6900	3.155	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	124.9460	0.000	1	124.9460	0.000	1	123.6900	3.155	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F){1|Co<8>,1|C<3>,1|C<4>,4|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Co<8>,1|C<4>,2|C<3>,2|F<1>}	123.3440	0.000	1	123.6887	0.101	3	123.6887	0.101	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F){1|Ni<4>,1|C<3>,1|C<4>,4|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,2|C<3>,2|F<1>}	123.8610	0.153	2	123.6887	0.101	3	123.6887	0.101	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]H){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	122.3130	0.341	2	122.3130	0.116	2	124.2637	2.923	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]C[6]H){1|Ir<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	125.2390	1.014	4	125.2390	1.028	4	124.2637	2.923	6	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|B<6>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|F<1>,2|C<3>,4|B<6>}	120.0980	0.000	1	120.0980	0.000	1	120.0980	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br){1|N<3>,2|C<3>,2|H<1>}	125.0478	0.392	6	125.0478	0.154	6	124.7445	0.598	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.3530	0.000	1	123.3530	0.000	1	124.7445	0.598	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.7370	0.000	1	123.7370	0.000	1	124.7445	0.598	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br){1|H<1>,6|C<3>}	125.0340	0.970	2	125.0340	0.941	2	124.7445	0.598	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|Re<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.8660	0.677	2	124.8660	0.459	2	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	124.9052	0.935	6	124.9052	0.874	6	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|C<4>,2|C<3>,3|H<1>}	122.8170	0.000	1	122.8170	0.000	1	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	123.9550	0.000	1	124.3618	0.816	4	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|H<1>,3|C<3>}	125.1790	0.000	1	124.3618	0.816	4	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	125.0310	0.000	1	124.3618	0.816	4	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|Ir<8>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	123.2820	0.000	1	124.3618	0.816	4	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|C<3>,3|H<1>}	124.9495	0.182	2	124.9597	0.017	3	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|H<1>,3|C<3>}	124.9800	0.000	1	124.9597	0.017	3	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	124.3990	0.000	1	124.3990	0.000	1	124.6297	0.739	17	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8340	0.000	1	120.8340	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.8260	0.000	1	120.8260	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.1710	0.000	1	121.1710	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.9340	0.000	1	120.9340	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	120.2290	0.000	1	120.5395	0.193	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8500	0.000	1	120.5395	0.193	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.7690	0.000	1	120.7690	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.8390	0.000	1	119.8390	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.0157	0.194	3	122.0157	0.038	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.9350	0.000	1	122.9350	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	120.5640	0.000	1	120.5640	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,5|C<3>}	122.0860	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.2360	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.2250	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1490	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1790	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.1810	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3280	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Co<10>,1|H<1>,2|C<3>,2|C<4>}	119.4035	0.258	2	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	121.3675	0.122	2	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Zr<13>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	122.3600	0.000	1	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Zr<15>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Zr<15>,1|H<1>,2|C<3>,2|C<4>}	121.6985	0.018	2	121.0488	1.144	14	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.4199	0.395	8	120.4959	0.178	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.8000	0.523	2	120.4959	0.178	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.9450	0.000	1	120.9450	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.5820	0.000	1	120.9549	0.254	16	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.3125	0.237	4	120.9549	0.254	16	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.3555	0.408	2	120.9549	0.254	16	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.9640	0.000	1	120.9549	0.254	16	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.0870	0.000	1	120.9549	0.254	16	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.2406	0.360	7	120.9549	0.254	16	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|H<1>,2|C<3>,2|C<4>}	123.0525	0.279	2	123.2587	0.167	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|H<1>,1|O<2>,3|C<3>}	123.6710	0.000	1	123.2587	0.167	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.5530	0.000	1	121.5530	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.9160	0.000	1	122.2443	0.801	9	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.5780	0.000	1	122.2443	0.801	9	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.6412	0.892	5	122.2443	0.801	9	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5950	0.000	1	122.2443	0.801	9	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.9040	0.000	1	122.2443	0.801	9	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	123.1500	0.000	1	123.1500	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<10>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	118.5400	0.000	1	118.5400	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H){1|H<1>,4|C<3>}	122.8470	0.000	1	121.9297	0.938	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H){1|H<1>,4|C<3>}	121.4710	0.783	2	121.9297	0.938	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.2235	0.494	2	118.7033	0.813	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.6630	0.000	1	118.7033	0.813	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6710	0.000	1	122.5283	0.654	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4570	1.130	2	122.5283	0.654	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6550	0.000	1	121.6550	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3820	0.000	1	120.5103	0.760	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.5170	0.000	1	120.5103	0.760	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0880	0.000	1	120.5103	0.760	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.5855	0.011	2	120.5103	0.760	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<9>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Cr<9>,1|H<1>,2|C<3>,2|C<4>}	119.6727	0.277	3	120.5103	0.760	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Rh<10>,1|H<1>,2|C<3>,2|C<4>}	120.1600	0.000	1	120.5103	0.760	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<10>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	120.7670	0.000	1	120.5103	0.760	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.4690	0.000	1	121.4690	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.1410	0.000	1	120.1410	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	123.2830	0.106	2	123.2830	0.011	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	122.8540	0.000	1	122.8540	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	123.7550	0.000	1	122.7438	0.573	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	122.4230	0.000	1	122.7438	0.573	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.9770	0.000	1	122.7438	0.573	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.8200	0.000	1	122.7438	0.573	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.0820	0.000	1	122.4834	0.312	38	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|B<4>,1|H<1>,3|C<3>}	122.4440	0.129	2	122.4834	0.312	38	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.1180	0.000	1	122.4834	0.312	38	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.3120	0.000	1	122.4834	0.312	38	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.4326	0.587	31	122.4834	0.312	38	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	122.7785	0.366	2	122.4834	0.312	38	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|B<4>,1|H<1>,3|C<3>}	121.6660	0.000	1	121.6660	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<7>,1|Rh<8>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	124.2990	0.000	1	124.2990	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.1053	0.627	3	123.1053	0.393	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7150	0.024	2	123.7150	0.001	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4900	0.000	1	123.4240	0.009	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3580	0.000	1	123.4240	0.009	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4120	0.000	1	123.4120	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	122.1835	1.015	4	122.1835	1.031	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,2|H<1>}	123.8555	1.264	10	123.8555	1.599	10	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	123.5640	0.000	1	123.8234	0.871	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	123.9215	1.817	2	123.8234	0.871	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	123.8550	0.310	2	123.8234	0.871	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.2110	0.045	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7798	0.175	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0480	0.493	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.1285	0.053	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2765	0.777	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ba<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.8787	0.644	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Bi<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.6857	1.175	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.6790	0.171	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6320	0.224	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3245	1.136	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2755	0.853	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.7757	0.446	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.3255	0.250	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.1092	1.136	5	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2794	0.598	5	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.8519	1.208	7	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4955	0.730	91	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9592	0.681	14	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1327	1.300	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cm<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9200	0.570	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.6640	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.9649	1.353	7	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	124.2700	1.065	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	125.5445	1.030	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.3489	1.462	7	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.7110	0.450	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.4874	1.501	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.3370	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	127.7590	1.305	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6460	0.441	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.0931	0.902	10	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1126	1.056	303	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0165	0.022	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.4288	0.256	5	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6282	0.904	24	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5980	0.372	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.7150	0.199	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5023	0.588	40	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.7290	1.553	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5365	0.549	19	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.8990	0.899	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.7692	0.430	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.0878	0.849	5	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1652	0.507	15	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4650	1.018	200	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.4367	1.340	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.6151	0.734	33	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.5923	1.055	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9646	1.155	160	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	124.0590	0.354	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.9840	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.2963	0.962	12	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	126.3110	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	125.3107	0.501	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	126.0923	1.227	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.0855	0.919	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5652	0.902	343	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5840	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.2380	0.651	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.0230	0.136	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4130	0.752	31	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Eu<13>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5345	0.502	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Eu<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6677	0.843	9	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.5565	1.503	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.2123	1.512	10	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6105	1.095	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.7667	1.635	11	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	126.0580	1.315	23	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6164	1.016	207	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8630	0.281	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Hg<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2075	0.478	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4580	0.239	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4885	0.867	11	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	126.0520	0.873	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7437	0.654	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6370	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9823	0.170	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2920	0.171	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mg<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.6055	0.369	11	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.8525	0.530	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8787	0.672	10	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4057	0.511	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.3720	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.6078	0.764	312	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0185	0.551	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5469	0.905	20	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4165	0.103	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1092	0.979	24	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.0745	0.351	10	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.1545	0.026	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.1640	0.122	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7310	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5235	0.168	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<8>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5825	0.129	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<9>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5820	0.369	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|W<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.1547	0.544	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.6020	0.864	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.0425	0.426	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.2857	0.297	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.4394	0.594	16	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	126.5010	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.3230	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.4045	0.735	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1875	0.592	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6815	0.050	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.3596	1.173	10	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.5770	1.290	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.8450	2.154	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2717	1.133	357	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4787	0.308	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.7548	0.843	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.8643	1.309	38	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.9680	2.270	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6765	0.278	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1079	1.355	9	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	126.2880	0.477	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.2415	1.117	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4962	1.082	54	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8409	0.420	12	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4320	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0400	0.061	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	123.1040	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	123.0060	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1186	1.000	13	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.5803	0.765	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.8195	0.327	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5248	1.095	64	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3466	1.253	7	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4698	1.911	10	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pu<11>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.7073	0.698	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.3003	1.518	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8500	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.7865	1.249	14	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	122.0060	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.2030	0.491	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0179	0.781	106	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8752	0.297	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1640	0.794	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<7>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.1740	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.2092	1.036	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.5870	1.392	19	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.7950	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.9855	3.007	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.6693	0.529	3	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4822	0.906	113	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9980	0.133	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8950	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<9>,1|N<4>,2|C<3>,2|H<1>}	125.1970	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<9>,1|N<4>,2|C<3>,2|H<1>}	124.8110	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6545	0.360	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.7910	0.311	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9780	0.082	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0190	0.308	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sm<11>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.7870	0.951	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sm<13>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.8402	0.657	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sm<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9007	2.151	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2605	0.497	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4810	0.078	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0090	0.872	13	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.1930	0.000	1	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sr<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5985	0.151	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sr<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2005	0.185	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|U<10>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1680	0.222	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.5397	2.270	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.4162	0.158	5	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0563	0.687	8	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.7335	0.046	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	123.6472	1.046	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.2012	0.861	6	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9698	0.548	66	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.8978	1.923	4	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.6595	0.728	2	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8621	0.817	107	124.1185	1.269	3384	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	124.2070	0.727	2	124.3253	0.133	6	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	124.3160	0.247	2	124.3253	0.133	6	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	124.4530	0.124	2	124.3253	0.133	6	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9670	0.000	1	123.5309	0.326	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.1340	0.000	1	123.5309	0.326	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3180	0.507	4	123.5309	0.326	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.3430	0.000	1	123.5309	0.326	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]S)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0040	0.520	2	123.0040	0.271	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.3240	0.003	2	124.3240	0.000	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|H<1>,4|C<3>}	120.8380	0.000	1	120.8380	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6420	0.000	1	120.3642	2.510	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	121.5890	0.000	1	120.3642	2.510	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	117.9180	0.000	1	120.3642	2.510	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.3360	0.960	2	120.3642	2.510	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7060	0.000	1	121.7060	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.2885	1.098	2	121.2885	1.206	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Au<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.7640	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Au<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.8280	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.5065	0.489	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.6000	0.769	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.0740	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<8>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.9020	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.5570	0.764	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7195	0.233	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.3813	0.712	13	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	128.3443	2.405	3	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.6458	0.324	6	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2930	3.164	3	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4780	0.645	12	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.7226	0.975	5	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.2555	0.954	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3768	0.646	77	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.4210	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.8893	0.757	4	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.7470	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<7>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.5350	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.3228	0.922	36	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	126.0280	0.974	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.9497	0.979	3	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6807	1.387	65	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.5367	1.959	15	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.2788	0.613	5	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.5550	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.7173	3.725	3	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.1005	0.159	4	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7565	0.578	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<7>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.1230	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.8410	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<5>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.2710	0.000	1	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1095	0.719	11	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<3>,2|C<3>}	122.6330	0.239	2	124.1704	2.924	292	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	119.1700	0.000	1	119.1700	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2720	0.000	1	123.2720	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,4|C<3>}	122.6120	0.000	1	122.6120	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.4860	0.000	1	123.4860	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.1510	0.000	1	121.1510	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	122.0310	0.000	1	122.0310	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.3720	0.000	1	120.3720	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	122.8180	0.000	1	122.6495	0.057	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	122.4810	0.000	1	122.6495	0.057	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	121.2870	0.000	1	121.2870	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.6850	0.000	1	122.6850	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2450	0.000	1	121.2450	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.1640	0.000	1	122.1640	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.4710	0.253	2	121.4710	0.064	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|Ti<9>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	121.7857	0.403	3	121.7857	0.163	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	124.1760	0.000	1	124.1760	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	122.5798	2.668	4	122.5798	7.117	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6])(H){1|H<1>,1|O<2>,4|C<3>}	122.6070	0.000	2	122.6070	0.000	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|N<3>,3|C<3>}	119.1880	0.000	1	119.4405	0.128	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|N<3>,3|C<3>}	119.6930	0.000	1	119.4405	0.128	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	122.4490	0.000	1	122.4490	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	123.4410	0.000	1	123.4410	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9330	0.580	2	120.7723	0.867	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	121.9147	0.702	3	120.7723	0.867	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	120.8120	0.000	1	120.7723	0.867	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0085	0.771	2	120.7723	0.867	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.5890	0.543	4	120.7723	0.867	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	119.2450	0.000	1	120.7723	0.867	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<5>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	122.2780	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9870	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3290	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.1065	0.736	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.9503	0.388	3	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	121.6550	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6583	0.912	6	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8135	0.185	4	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.1390	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.0795	0.112	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7640	0.344	3	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|Au<3>,1|H<1>,3|C<3>}	121.2900	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8930	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1755	0.148	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.2950	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2750	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ce<12>,1|H<1>,1|O<3>,3|C<3>}	122.1093	0.799	6	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ce<13>,1|H<1>,1|O<3>,3|C<3>}	122.1925	2.436	10	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ce<14>,1|H<1>,1|O<3>,3|C<3>}	121.4847	0.806	23	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,1|O<2>,3|C<3>}	121.7131	0.952	11	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,1|O<3>,3|C<3>}	122.0292	0.573	6	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.3990	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|V<7>,3|C<3>}	120.3860	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|V<9>,3|C<3>}	121.1770	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|La<12>,1|H<1>,1|O<2>,3|C<3>}	120.0220	0.000	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|La<12>,1|H<1>,1|O<3>,3|C<3>}	122.0750	0.817	6	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Lu<12>,1|H<1>,1|O<3>,3|C<3>}	121.9017	1.217	6	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|P<4>,2|H<1>,3|C<3>}	121.5390	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Pd<4>,2|H<1>,3|C<3>}	121.4310	0.133	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|U<13>,1|H<1>,1|O<3>,3|C<3>}	122.6124	2.192	12	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|V<10>,1|H<1>,1|O<2>,3|C<3>}	121.1140	0.427	4	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Y<12>,1|H<1>,1|O<2>,3|C<3>}	122.0745	0.412	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,1|O<2>,3|C<3>}	121.3735	1.133	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	122.1030	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.1130	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2910	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<8>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ca<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.8970	0.059	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	121.5000	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<9>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ir<9>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4535	0.459	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<3>,1|Li<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.4180	0.192	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<7>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	122.2390	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.1790	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.2859	0.524	47	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.5103	0.576	3	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.8090	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.3615	0.233	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.5680	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.7433	0.206	4	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<6>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Os<5>,1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	122.4190	0.000	3	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.6120	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<7>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Re<7>,1|C<4>,2|C<3>,2|H<1>}	122.0690	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<9>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.6990	0.016	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<7>,1|C<4>,2|C<3>,2|H<1>}	121.7420	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.5650	0.233	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<8>,1|C<4>,1|H<1>,1|P<5>,2|C<3>}	121.7050	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<5>,1|C<2>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	121.4180	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.2270	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Li<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.5020	0.000	1	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.2700	0.910	73	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.1600	0.041	2	121.5315	1.028	286	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	122.9655	0.724	4	123.2558	0.425	8	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	123.5460	0.493	4	123.2558	0.425	8	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	121.7300	0.000	1	122.2490	0.539	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	122.7680	0.000	1	122.2490	0.539	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H){2|C<4>,2|H<1>,3|C<3>}	122.0800	0.000	1	122.1793	0.007	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H){2|C<4>,2|H<1>,3|C<3>}	122.2290	0.000	2	122.1793	0.007	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H){1|Ti<11>,1|H<1>,1|O<2>,3|C<3>}	121.6953	1.037	8	121.7092	0.972	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H){1|Zr<13>,1|H<1>,1|O<2>,3|C<3>}	122.0460	0.848	4	121.7092	0.972	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H){1|H<1>,1|O<1>,3|C<3>}	120.4730	0.000	1	121.7092	0.972	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	121.5060	0.615	2	121.3126	0.580	8	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	121.7835	0.681	2	121.3126	0.580	8	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.7040	0.000	1	121.3126	0.580	8	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,2|H<1>,4|C<3>}	121.1710	0.000	1	121.3126	0.580	8	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	121.5235	0.043	2	121.3126	0.580	8	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	123.1290	0.000	1	122.9842	0.312	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.2450	0.000	1	122.9842	0.312	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	123.4550	0.000	1	122.9842	0.312	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	123.5420	0.054	2	122.9842	0.312	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	122.9130	0.000	1	122.9842	0.312	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	122.7960	0.000	1	122.9842	0.312	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	122.5510	0.683	4	122.9842	0.312	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	123.5662	0.597	4	122.7050	0.776	20	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	122.6140	0.317	3	122.7050	0.776	20	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	122.3033	0.269	9	122.7050	0.776	20	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	123.5690	0.638	2	122.7050	0.776	20	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	122.0630	2.393	2	122.7050	0.776	20	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	118.2010	0.000	1	118.2010	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ag<5>,1|H<1>,3|C<3>}	124.1190	0.281	2	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	126.1830	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	123.0620	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Mn<6>,1|H<1>,3|C<3>}	123.6100	0.035	2	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	120.5950	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	122.5420	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Au<4>,1|H<1>,3|C<3>}	122.6930	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	123.6340	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Fe<6>,1|H<1>,3|C<3>}	123.2790	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	123.7370	0.000	1	123.4319	1.667	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.7260	0.450	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.2125	0.022	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.1600	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cd<7>,1|H<1>,3|C<3>}	122.7499	0.414	15	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	122.8220	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	122.7858	0.309	4	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Mn<7>,1|H<1>,3|C<3>}	122.8953	0.844	3	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	122.7942	0.833	14	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	122.3405	0.525	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	122.9140	0.132	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.1540	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.0005	0.240	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	122.7500	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.5275	0.881	29	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cr<6>,1|H<1>,3|C<3>}	124.1533	0.906	7	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	124.1980	0.495	3	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	123.8450	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Fe<8>,1|H<1>,3|C<3>}	123.7180	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ga<6>,1|H<1>,3|C<3>}	123.0303	0.581	3	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	123.0130	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	124.4780	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	123.3830	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	124.7255	0.646	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	123.6100	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Rh<6>,1|H<1>,3|C<3>}	124.2880	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	122.0295	0.581	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	123.2063	0.887	10	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	122.4390	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	122.8920	0.123	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	122.2825	0.637	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.1560	0.305	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.0230	0.303	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	122.5503	0.699	3	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<2>,1|H<1>,3|C<3>}	123.4430	0.775	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	121.7920	0.033	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	121.5220	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.2620	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	123.1378	0.475	5	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	121.8688	1.366	26	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ir<7>,1|H<1>,3|C<3>}	122.4175	0.406	4	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	121.2610	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	121.6650	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.5988	0.665	9	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.4502	0.694	5	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	122.6830	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Tc<6>,1|H<1>,3|C<3>}	121.0850	0.130	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	122.3400	0.238	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	122.9877	0.080	3	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.9635	0.026	2	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Th<13>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Th<13>,1|H<1>,3|C<3>}	122.9040	0.000	1	122.7530	1.180	193	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,4|C<3>}	123.2120	0.000	1	123.0765	0.037	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.9410	0.000	1	123.0765	0.037	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.3150	0.000	1	122.3150	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	122.5258	0.099	4	122.8794	0.633	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	124.2940	0.000	1	122.8794	0.633	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.0650	0.000	1	122.0650	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	121.4480	0.000	1	121.2130	0.110	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	120.9780	0.000	1	121.2130	0.110	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	121.7560	0.000	1	122.6660	1.656	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	123.5760	0.000	1	122.6660	1.656	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	122.0026	0.410	5	121.4262	1.623	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	123.1310	0.000	1	121.4262	1.623	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.6000	0.000	1	121.4262	1.623	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.2460	0.000	1	121.4262	1.623	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.9850	0.000	1	121.4262	1.623	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.8565	0.067	2	121.4262	1.623	11	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Pd)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Pd)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	123.6130	0.000	1	123.6130	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|S<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.5305	0.402	4	118.5305	0.162	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5550	0.000	1	122.5550	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.4510	0.000	1	122.4510	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.9300	0.000	1	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.1270	0.000	1	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.6260	0.000	1	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5773	0.479	3	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.8905	0.347	2	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.5690	0.683	2	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8195	0.227	2	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1070	0.000	1	122.3138	1.386	13	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	119.8420	0.000	1	119.8115	0.002	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	119.7810	0.000	1	119.8115	0.002	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.3680	0.000	1	122.3680	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	120.4880	0.000	1	120.6750	0.070	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	120.8620	0.000	1	120.6750	0.070	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	121.6690	0.000	1	121.6690	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	122.1040	0.000	1	122.1040	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H){1|N<3>,2|C<3>,2|H<1>}	122.1260	0.000	1	122.1260	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,3|H<1>}	122.0680	0.000	1	122.0680	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	121.9810	0.351	3	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.1370	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.5770	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.4180	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	122.6940	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	122.2875	0.435	2	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	124.3243	0.349	3	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.7430	0.283	2	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	122.5730	0.966	4	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.4410	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	122.5270	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	124.3820	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.4470	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	123.5920	0.000	1	122.8906	0.780	23	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|Zn<5>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	122.5760	0.000	1	122.5760	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.6910	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1310	0.021	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9765	0.066	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.4225	0.721	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.1910	1.502	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.4883	0.358	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.9690	0.440	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.4870	0.307	7	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0190	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.8960	0.109	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.1357	0.360	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.8856	0.464	12	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	127.7290	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.1800	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4308	0.181	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	126.2552	0.315	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Au<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.3725	2.698	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.0980	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7835	0.169	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Bi<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.5425	0.291	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Bi<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3673	0.229	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.2280	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.3703	0.406	9	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.6830	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	122.5530	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	122.7930	0.242	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9755	0.474	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.1573	0.979	32	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.3015	0.931	35	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.1580	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6420	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.9740	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.8760	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.9760	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9898	0.195	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.5145	0.011	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.0453	0.111	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.8230	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.1320	0.894	9	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<7>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9893	0.352	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<8>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.0057	0.875	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6535	0.443	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5045	0.627	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.1485	0.502	8	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4002	1.796	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5012	0.743	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5690	0.361	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.9050	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.2485	0.161	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.8895	0.800	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3940	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.8985	0.692	17	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5452	0.872	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.8950	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.8700	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.7170	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	126.0231	0.404	9	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9790	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.9325	0.284	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8175	0.251	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<5>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5310	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.0280	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.7800	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4283	0.486	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.0440	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.2082	0.728	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9000	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.3955	0.262	12	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9706	0.343	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.7170	0.480	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2603	0.735	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.9815	2.120	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.5814	0.308	8	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.0610	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.8960	0.649	11	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.7547	0.893	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.9310	0.658	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.4842	0.590	19	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7315	0.555	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.1970	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5150	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	125.6940	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.8135	0.565	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.9100	0.187	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7820	0.044	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5633	1.064	11	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.6266	0.591	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6450	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5540	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5995	1.184	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.2437	0.741	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6380	0.769	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3240	0.165	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.2685	0.202	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.6060	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.3740	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.2590	0.037	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1142	0.294	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5634	0.768	262	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9344	0.867	16	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.5940	1.889	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0034	0.434	17	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.5198	0.775	10	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.2685	0.491	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6570	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Hg<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.9180	0.153	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Hg<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.8820	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.0640	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|I<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7730	0.677	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.6620	0.618	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.3440	0.105	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2410	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2997	0.606	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0215	0.927	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.4033	0.915	46	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.8910	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.6645	2.415	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	126.6140	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.0860	1.025	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.6485	0.472	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.8920	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.7500	1.447	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<4>,1|O<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4670	0.284	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<5>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.3810	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mg<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.6860	0.273	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mg<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.2190	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6935	0.231	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.6905	0.766	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.3735	1.036	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3716	0.439	12	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.1619	0.945	15	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.7734	0.854	36	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.9380	0.187	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.6058	0.527	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.8185	0.136	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.6850	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.8730	0.696	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<5>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.9505	0.485	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9760	0.509	11	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5530	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6772	0.473	18	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8200	0.148	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|Si<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.8635	0.174	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.3305	0.880	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.7360	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.7860	0.322	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.6500	0.863	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5305	0.220	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	123.8290	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.7870	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.4640	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.4470	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.4140	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.5335	1.230	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9101	0.866	11	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.7280	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.7060	0.100	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9130	0.296	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|Si<5>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7965	0.153	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7225	0.248	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.5958	0.384	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9130	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1210	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.1654	0.441	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.7593	0.383	7	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.9905	1.534	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.1810	0.100	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.6810	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.0832	0.700	19	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.9743	0.209	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.6900	0.908	41	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4350	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<7>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.0340	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<9>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.8855	0.194	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pb<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3370	0.518	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8765	1.846	11	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.3560	2.024	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|F<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.3770	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1423	1.435	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9792	0.828	28	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.8255	0.325	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.1830	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.5110	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	128.4950	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0460	2.030	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.1830	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.5775	0.609	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.0440	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.7840	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5270	0.183	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2370	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5875	1.756	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.8804	0.953	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5298	0.791	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5520	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7425	1.030	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0925	0.279	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9540	0.107	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.9970	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|P<5>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.5070	0.083	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7382	0.416	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3660	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1298	0.889	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3050	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7090	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.3562	0.653	13	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.6050	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9762	1.008	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.6170	0.765	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0800	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5785	1.706	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2755	0.220	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.2728	0.838	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5970	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0455	1.282	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1780	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5540	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.0430	0.129	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5600	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.0379	0.969	10	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.4192	0.887	9	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.2060	0.438	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<8>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Re<8>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.7410	2.970	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.4467	0.758	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5805	1.015	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.7000	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2390	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6110	0.223	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.0153	0.263	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1440	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.6740	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2680	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.4270	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6670	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.1105	0.344	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.9390	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<10>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.0167	0.039	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.9580	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.7150	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.9510	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0337	0.979	7	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3600	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2217	0.108	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.9880	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.7521	0.449	9	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<7>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.9550	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.6450	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.7430	0.168	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7830	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.1970	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.5490	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6970	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.8160	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.0251	0.562	7	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.4215	1.128	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.1215	0.076	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.5265	0.319	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.8745	0.762	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.0473	0.114	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.7945	0.303	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7904	0.410	7	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0730	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.3876	2.396	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.1309	0.436	10	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.5873	0.407	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<3>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.9065	0.200	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.2445	0.455	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.8960	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4868	0.612	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.5257	0.131	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5452	0.306	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3968	0.182	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.5235	0.644	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.4857	0.427	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.5622	0.546	9	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.3330	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3650	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.2820	0.331	3	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.5722	0.521	6	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.6230	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3746	0.947	5	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.4230	0.010	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.5730	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.2460	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7843	0.547	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.0392	0.401	21	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.1130	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.7272	0.502	4	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8188	0.680	9	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.8550	0.191	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9257	0.521	10	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.9221	0.368	8	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zr<13>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,1|N<3>,2|C<3>}	123.9220	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.3630	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	123.1345	0.507	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.2570	0.597	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	124.2693	0.399	7	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.2490	0.881	28	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.4445	0.011	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.6483	0.555	30	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Ir<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.5950	0.000	1	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.4415	0.291	2	123.5730	1.700	1505	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|H<1>,3|C<3>}	121.9050	0.000	1	121.8098	0.256	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|C<3>,2|H<1>}	121.7780	0.615	3	121.8098	0.256	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	120.4530	0.000	1	120.4530	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]H)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	120.9900	2.007	2	120.9900	4.027	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.9140	0.000	1	121.9728	0.453	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.7630	0.000	1	121.9728	0.453	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.5930	0.646	2	121.9728	0.453	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0010	0.000	1	121.9728	0.453	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	120.9480	0.000	1	120.9480	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.3700	0.000	1	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.3715	0.110	2	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.5288	0.610	6	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.4590	0.000	1	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.0840	0.000	1	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.8385	0.141	2	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5177	0.402	3	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	124.1400	0.000	1	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.7360	0.000	1	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.3035	0.176	2	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.5195	0.580	4	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4735	0.602	2	122.0987	0.972	26	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.1080	0.000	1	123.5185	0.337	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.9290	0.000	1	123.5185	0.337	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.8610	0.000	1	123.9530	0.154	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	123.9990	0.543	2	123.9530	0.154	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|O<2>,2|H<1>,3|C<3>}	121.9510	0.000	1	121.9510	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	124.0290	0.000	1	124.0290	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.0333	0.421	3	124.0333	0.177	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.3160	0.000	1	124.3160	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.5825	0.585	2	123.4350	0.236	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.1400	0.000	1	123.4350	0.236	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	122.9440	0.000	1	122.9440	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.9500	0.000	1	123.9500	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.9245	0.296	2	124.0948	0.136	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|O<2>,3|C<3>}	124.2083	0.425	3	124.0948	0.136	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	126.4760	0.000	1	126.4760	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	123.4150	0.000	1	123.6660	0.177	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	124.1520	0.000	1	123.6660	0.177	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	123.4310	0.000	1	123.6660	0.177	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	124.3455	0.015	2	124.3455	0.000	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<1>,1|O<2>,2|C<3>}	123.7760	0.000	1	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	124.3640	0.000	1	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.5100	0.000	1	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|H<1>}	123.1790	0.445	2	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<3>}	123.3850	0.000	1	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.5983	0.243	3	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	124.8205	0.138	2	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|Ru<8>,1|H<1>,1|O<2>,2|C<3>}	125.0350	0.000	1	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	124.3779	0.945	7	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	123.7450	0.175	3	124.0338	0.570	22	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	123.9955	0.059	2	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	124.8010	0.000	1	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.7505	0.323	2	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	124.4650	0.000	1	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	124.5060	0.000	1	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	125.5380	0.000	1	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	123.7725	0.016	2	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	124.3420	0.000	1	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	123.6270	0.000	1	124.1930	0.330	12	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9950	0.000	1	122.9950	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,2|O<2>,3|C<3>}	123.4435	0.312	4	123.4435	0.097	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,2|O<2>,5|C<3>}	122.4500	0.000	1	123.6334	0.471	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,2|O<2>,5|C<3>}	123.9110	0.253	3	123.6334	0.471	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	123.9840	0.000	1	123.6334	0.471	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.5160	0.000	1	123.3727	0.315	19	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.4203	0.537	18	123.3727	0.315	19	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	125.1950	0.000	1	125.1950	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.0970	0.000	1	123.0970	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.3710	0.663	2	123.2065	0.329	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.0420	0.663	2	123.2065	0.329	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.6730	0.000	1	123.6887	0.127	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.3400	0.000	1	123.6887	0.127	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	124.0530	0.000	1	123.6887	0.127	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	120.9790	0.000	1	120.9790	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,1|P<4>,4|C<3>}	121.5110	0.000	1	121.5110	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	122.0080	0.000	1	122.0080	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.1250	0.000	1	122.2270	0.021	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	122.3290	0.000	1	122.2270	0.021	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	121.7570	0.000	1	121.7570	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	120.6850	0.000	1	120.3115	0.279	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|H<1>,3|C<3>}	119.9380	0.000	1	120.3115	0.279	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|S<2>,2|H<1>,3|C<3>}	122.2608	0.196	4	121.8762	0.768	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<1>,1|S<2>,2|C<3>}	120.3380	0.000	1	121.8762	0.768	5	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	120.1020	0.000	1	120.1158	0.490	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	121.0870	0.000	1	120.1158	0.490	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.8220	0.000	1	120.1158	0.490	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	119.4520	0.000	1	120.1158	0.490	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,4|C<3>}	121.1100	0.000	1	121.6355	0.552	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	122.1610	0.000	1	121.6355	0.552	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	122.2370	0.000	1	122.2370	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	122.4570	0.177	2	122.4570	0.031	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	118.5870	0.000	1	118.5870	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|Si<4>,1|H<1>,2|C<3>}	119.3340	0.000	1	119.3340	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]N[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.9520	1.785	2	123.9520	3.185	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6925	0.394	2	120.6925	0.155	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.7224	0.414	5	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.1372	0.489	4	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.0920	0.000	1	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.4403	0.784	3	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.6420	0.000	1	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	122.4220	0.652	2	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.0405	0.325	2	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.3660	0.000	1	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.0050	0.000	1	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.4280	0.000	1	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|P<2>,2|C<3>}	120.4870	0.000	1	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.9675	0.012	2	122.1401	0.474	24	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	123.5280	0.000	1	123.5280	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	125.9700	0.981	2	125.9700	0.963	2	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.2600	0.000	1	120.7904	2.341	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.9900	0.000	1	120.7904	2.341	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0815	1.402	2	120.7904	2.341	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0440	0.000	1	120.7904	2.341	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.5380	0.243	2	120.7904	2.341	7	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(H)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	123.3600	0.000	1	123.3600	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.4330	0.000	1	121.4330	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.9491	0.332	7	121.9501	0.185	25	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.7585	0.346	13	121.9501	0.185	25	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.2430	0.366	3	121.9501	0.185	25	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.7590	0.164	2	121.9501	0.185	25	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.4180	0.000	1	121.4180	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	125.4280	0.000	1	124.2387	1.061	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	123.6440	0.000	2	124.2387	1.061	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	122.7950	0.000	1	122.7950	0.000	1	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.3470	0.909	2	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.5350	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.3610	0.977	2	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.4150	0.878	3	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.3975	0.378	2	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.7470	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9140	1.199	2	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.6040	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.1300	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.0863	0.499	4	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.3860	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	123.5580	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.2880	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	124.1900	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.0690	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.2053	1.459	6	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.8688	0.541	4	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	122.8390	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.6570	0.772	2	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	125.4547	0.377	9	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	125.5690	0.000	1	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	126.4725	0.480	2	124.5429	1.226	49	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	125.1915	0.103	2	124.7327	0.637	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.8150	0.000	1	124.7327	0.637	3	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<4>,3|C<3>}	119.0240	0.000	1	118.6225	0.082	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<4>,3|C<3>}	118.5790	0.000	1	118.6225	0.082	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<4>,3|C<3>}	118.5380	0.000	1	118.6225	0.082	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<3>,3|C<3>}	118.3490	0.000	1	118.6225	0.082	4	123.6582	2.059	6336	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|C<4>,1|H<1>,4|C<3>}	124.2655	1.262	2	124.2655	1.593	2	124.5943	1.416	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(I)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(I){1|H<1>,6|C<3>}	122.6303	0.672	3	122.6303	0.452	3	124.5943	1.416	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I){1|C<4>,1|H<1>,5|C<3>}	125.0175	0.484	2	125.0175	0.235	2	124.5943	1.416	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|H<1>,5|C<3>}	123.5560	0.000	1	124.5753	2.155	3	124.5943	1.416	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|H<1>,5|C<3>}	123.9120	0.000	1	124.5753	2.155	3	124.5943	1.416	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|C<4>,1|H<1>,4|C<3>}	126.2580	0.000	1	124.5753	2.155	3	124.5943	1.416	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I){1|C<4>,1|H<1>,2|C<3>}	125.3144	0.323	8	125.3144	0.104	8	124.5943	1.416	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|H<1>,2|C<3>,2|C<4>}	118.0250	0.000	1	118.0250	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	118.9540	0.083	2	118.9540	0.007	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.3530	0.000	1	119.3530	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	117.2470	0.000	1	117.2470	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	118.8997	0.313	6	119.2886	0.595	8	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.4555	0.210	2	119.2886	0.595	8	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	118.1155	0.455	2	119.1205	0.586	10	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	119.3025	0.063	4	119.1205	0.586	10	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	118.3130	0.000	1	119.1205	0.586	10	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	120.0740	0.631	2	119.1205	0.586	10	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	119.3030	0.000	1	119.1205	0.586	10	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	117.5445	0.091	2	117.5445	0.008	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	118.8240	0.000	1	118.8240	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	118.6250	0.000	1	118.6250	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	120.1110	0.552	3	119.1006	2.067	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	117.6040	0.000	1	119.1006	2.067	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	117.5660	0.000	1	119.1006	2.067	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	118.6245	0.158	2	118.6245	0.025	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|H<1>,3|C<3>}	118.6895	0.320	2	118.6895	0.103	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.1894	0.269	5	120.1894	0.073	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	118.5460	0.139	2	118.5460	0.019	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	119.3900	0.000	1	119.3900	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<3>,2|C<4>,2|H<1>}	118.1210	0.000	1	118.1210	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,1|N<2>,3|C<3>}	121.2892	0.367	5	121.2892	0.135	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.7173	0.476	4	118.4656	0.226	7	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.1300	0.209	3	118.4656	0.226	7	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,4|C<3>}	118.2890	0.000	1	117.3697	0.643	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,4|C<3>}	116.9100	0.136	2	117.3697	0.643	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	119.0187	0.767	3	118.9617	0.724	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	118.3320	0.413	2	118.9617	0.724	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	119.0660	0.000	1	118.9617	0.724	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	119.9910	0.595	2	118.9617	0.724	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	117.8870	0.000	1	118.9617	0.724	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	117.0510	0.000	1	117.3040	0.128	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	117.5570	0.000	1	117.3040	0.128	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	119.9060	0.204	2	119.9060	0.041	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,1|N<2>,3|C<3>}	119.5570	0.387	2	119.5570	0.150	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	119.8342	0.789	12	119.8776	0.487	16	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	119.7610	0.318	2	119.8776	0.487	16	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	120.2545	0.128	2	119.8776	0.487	16	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.4002	0.379	8	120.4002	0.143	8	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	119.9830	0.000	1	119.9830	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	119.6540	0.000	1	119.8355	0.066	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.0170	0.000	1	119.8355	0.066	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	119.4230	0.000	1	119.2200	0.223	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	118.9725	0.269	2	119.2200	0.223	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.3660	0.782	2	119.2200	0.223	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Br<1>,1|H<1>,3|C<3>}	118.8610	0.000	1	119.5577	0.211	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	119.7673	0.674	3	119.5577	0.211	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	119.6400	0.147	4	119.5577	0.211	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	119.2960	0.000	1	119.5577	0.211	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	119.8620	0.000	1	119.8620	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,1|S<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.1740	0.000	1	118.1740	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	119.8620	0.000	1	119.7200	0.100	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	119.9410	0.000	1	119.7200	0.100	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	119.3570	0.000	1	119.7200	0.100	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|H<1>,6|C<3>}	120.0002	0.603	4	120.0002	0.364	4	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	119.8680	0.554	2	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.6372	0.364	4	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.0430	0.577	3	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,5|C<3>}	119.7365	0.166	2	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	119.8975	0.227	2	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,6|C<3>}	119.6277	0.310	4	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	119.8540	0.000	1	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){2|H<1>,5|C<3>}	118.9983	0.679	6	119.5849	0.314	24	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	116.8780	0.000	1	119.2301	1.522	15	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	116.9860	0.000	1	119.2301	1.522	15	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	117.2740	0.000	1	119.2301	1.522	15	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	119.4130	0.139	2	119.2301	1.522	15	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	119.2550	0.000	1	119.2301	1.522	15	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	120.0076	0.532	8	119.2301	1.522	15	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	119.1720	0.000	1	119.2301	1.522	15	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	120.1335	0.203	2	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	120.7990	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	120.1590	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.5240	0.481	4	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|Br<1>,1|H<1>,3|C<3>}	119.7950	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	120.8215	0.180	2	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	119.8310	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.3020	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	119.5675	0.636	14	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|S<2>,3|C<3>}	119.9579	0.552	14	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	120.0406	0.315	7	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.6288	0.663	5	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	121.1430	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.2090	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.3908	0.327	9	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.3602	0.618	4	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.6190	0.461	2	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.4270	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	119.6174	0.453	7	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.5240	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Os<10>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<5>,1|H<1>,1|O<2>,2|C<3>}	121.4980	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.2854	0.784	5	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	118.0300	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.2940	0.000	1	119.7212	0.475	87	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	118.5095	0.357	2	119.5283	0.256	23	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|C<4>,1|H<1>,3|C<3>}	120.3335	0.251	2	119.5283	0.256	23	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|H<1>,3|C<3>}	119.1525	0.203	2	119.5283	0.256	23	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<2>,3|C<3>}	119.8760	0.000	1	119.5283	0.256	23	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	119.5802	0.324	16	119.5283	0.256	23	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.6320	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.5920	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	117.9825	0.370	2	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.4350	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.8545	0.454	4	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	120.3060	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	120.6610	0.281	6	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	120.2640	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.0663	0.400	11	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	120.5370	0.276	2	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.2583	0.294	7	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	120.4540	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	119.8770	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.3350	0.219	4	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	118.4820	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.4923	0.408	3	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.7328	0.677	4	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.6428	0.716	4	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	121.4045	0.812	2	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.6480	0.000	1	119.9789	0.810	58	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	118.2000	0.000	1	119.5284	0.436	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	119.7469	0.474	7	119.5284	0.436	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){2|H<1>,3|C<3>}	119.3280	0.000	1	119.5284	0.436	9	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ir)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Ir<9>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ir)(O){1|H<1>,3|C<3>}	120.0010	0.296	2	120.0010	0.087	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	117.3610	0.000	1	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.6460	0.000	1	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.2950	0.000	1	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	119.4690	0.000	1	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.6505	0.254	2	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	119.8271	0.387	8	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	120.2180	0.409	5	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	119.6758	0.303	13	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	120.3468	0.781	6	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.6996	0.344	10	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.4280	0.448	2	119.7699	0.342	50	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	119.4960	0.000	1	119.9585	0.428	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	120.4210	0.000	1	119.9585	0.428	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	119.0710	0.151	2	119.0710	0.023	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>}	118.7360	0.000	1	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	117.6460	0.000	1	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	118.3970	0.000	1	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.2802	0.175	5	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.4385	1.272	2	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.3974	0.443	17	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|I<1>,3|C<3>}	119.6826	1.134	7	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	119.8455	0.231	2	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	119.6548	0.740	5	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.7530	0.208	7	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.5043	0.515	3	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	119.6200	0.000	1	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.3900	0.516	2	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.9610	0.000	1	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.2320	0.074	2	119.8450	0.610	57	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){2|H<1>,3|C<3>}	119.8770	0.000	1	119.9256	0.487	20	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,3|C<3>}	119.8729	0.766	14	119.9256	0.487	20	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	120.6880	0.000	1	119.9256	0.487	20	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,3|C<3>}	119.7920	0.738	2	119.9256	0.487	20	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){2|H<1>,3|C<3>}	120.5130	0.000	1	119.9256	0.487	20	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<3>,3|C<3>}	119.6300	0.000	1	119.9256	0.487	20	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O){2|H<1>,3|C<3>}	119.7810	0.000	1	119.7810	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	120.0810	0.000	1	119.6241	0.145	7	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	119.5410	0.395	5	119.6241	0.145	7	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,6|C<3>}	119.5830	0.000	1	119.6241	0.145	7	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.9310	0.000	1	118.9310	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.4050	0.000	1	120.4050	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	118.0580	0.000	1	118.1055	0.005	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	118.1530	0.000	1	118.1055	0.005	2	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	120.3110	0.000	1	120.5787	0.117	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.7125	0.356	2	120.5787	0.117	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	121.3260	0.000	1	121.3260	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	121.4540	0.000	1	121.4540	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	121.7900	0.000	1	121.7900	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|N<2>,3|C<3>}	120.6610	0.000	1	120.6610	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	118.7950	0.000	1	118.7950	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.5600	0.000	1	121.4228	1.612	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	121.0625	0.585	2	121.4228	1.612	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	120.7145	0.524	2	121.4228	1.612	5	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	119.4280	0.000	1	119.4280	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	121.3980	0.000	1	121.3980	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2700	0.000	1	121.0160	0.771	4	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	120.5980	0.329	3	121.0160	0.771	4	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	123.6340	0.000	1	123.6340	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.1860	0.000	1	122.1860	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	120.6970	0.000	1	121.6149	0.446	37	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.7960	0.000	1	121.6149	0.446	37	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	121.1116	0.224	8	121.6149	0.446	37	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	121.2424	0.644	10	121.6149	0.446	37	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>,2|O<2>}	121.4460	0.000	1	121.6149	0.446	37	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	121.8690	0.000	1	121.6149	0.446	37	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.1083	0.428	15	121.6149	0.446	37	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.4740	0.000	1	121.4740	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	120.1467	0.907	3	120.1467	0.823	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	121.1300	0.000	1	121.1300	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	119.9640	0.000	1	119.9640	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|S<2>,2|C<3>,3|H<1>}	117.9097	0.084	3	117.9097	0.007	3	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	118.3620	0.000	1	118.3620	0.000	1	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.0804	0.548	28	120.0804	0.301	28	119.8385	1.014	582	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S){1|H<1>,2|N<3>,4|C<3>}	122.9470	0.539	2	122.9470	0.290	2	122.7880	0.182	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.6290	0.395	2	122.6290	0.156	2	122.7880	0.182	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	118.9770	0.177	2	118.9770	0.031	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]Ru)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<7>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]Ru)(H){1|H<1>,1|N<3>,3|C<3>}	120.5340	0.000	1	120.5340	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	120.0240	0.000	1	119.9675	0.006	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	119.9110	0.000	1	119.9675	0.006	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){2|C<4>,2|H<1>,4|C<3>}	119.8100	0.000	1	119.8100	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(H){1|H<1>,4|C<3>}	120.8305	0.236	4	120.8305	0.056	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Fe)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Fe)(H){1|H<1>,4|C<3>}	120.5630	0.641	2	120.5630	0.410	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	120.8410	0.000	1	120.4360	0.207	5	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	120.3347	0.456	4	120.4360	0.207	5	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H){1|H<1>,4|C<3>}	120.9513	0.413	3	121.0635	0.164	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H){1|H<1>,4|C<3>}	121.4000	0.000	1	121.0635	0.164	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	120.2500	0.000	1	120.2500	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pd)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pd)(H){1|H<1>,4|C<3>}	121.2027	0.783	3	121.2027	0.613	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H){1|H<1>,4|C<3>}	120.5015	0.287	6	120.5015	0.082	6	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Zn)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Zn)(H){1|H<1>,4|C<3>}	120.8715	0.046	2	120.8715	0.002	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	119.6800	0.000	1	119.6800	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H){1|H<1>,4|C<3>}	118.6815	1.274	4	118.6815	1.623	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	118.9790	0.000	1	118.9790	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	121.2405	0.534	2	121.2405	0.285	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	121.3140	0.231	3	121.3140	0.053	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ag)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ag<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ag)(H){1|C<4>,1|H<1>,3|C<3>}	123.0540	0.300	2	123.0540	0.090	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Au)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Au<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Au)(H){1|H<1>,4|C<3>}	121.1740	0.000	1	121.1740	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	120.9325	1.529	2	121.1052	0.870	41	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	121.2903	0.936	29	121.1052	0.870	41	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	121.3750	0.000	1	121.1052	0.870	41	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	120.4163	0.699	6	121.1052	0.870	41	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.9200	0.911	2	121.1052	0.870	41	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	120.3180	0.000	1	121.1052	0.870	41	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H){1|C<4>,1|H<1>,3|C<3>}	120.4930	0.000	1	122.2420	1.856	6	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H){1|H<1>,4|C<3>}	122.5918	1.184	5	122.2420	1.856	6	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cr)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cr<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cr)(H){2|H<1>,3|C<3>}	122.1007	0.722	7	122.1007	0.521	7	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H){2|H<1>,3|C<3>}	122.3793	0.442	3	122.3538	0.133	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H){2|H<1>,3|C<3>}	122.2770	0.000	1	122.3538	0.133	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H){1|H<1>,4|C<3>}	122.6370	0.000	1	122.3820	0.130	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<8>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H){2|H<1>,3|C<3>}	122.1270	0.000	1	122.3820	0.130	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H){2|H<1>,3|C<3>}	121.1890	1.330	3	121.1890	1.769	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	121.8096	1.035	10	121.4923	1.170	13	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	120.4347	0.116	3	121.4923	1.170	13	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(H){1|C<4>,1|H<1>,3|C<3>}	122.1380	0.081	2	122.1380	0.006	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){2|H<1>,3|C<3>}	120.8490	0.000	1	120.8490	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H){1|H<1>,4|C<3>}	122.1580	0.000	1	122.1707	0.442	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H){2|H<1>,3|C<3>}	122.1770	0.940	2	122.1707	0.442	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	121.1670	0.000	1	121.3670	0.080	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	121.7790	0.000	1	121.3670	0.080	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	121.3200	0.000	1	121.3670	0.080	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	121.2020	0.000	1	121.3670	0.080	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H){2|H<1>,3|C<3>}	122.3415	1.008	2	121.8880	0.615	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H){1|H<1>,4|C<3>}	121.3770	0.000	1	121.8880	0.615	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H){2|H<1>,3|C<3>}	121.4920	0.000	1	121.8880	0.615	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H){1|H<1>,4|C<3>}	122.1301	1.533	9	122.1301	2.350	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Rh)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Rh<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Rh)(H){2|H<1>,3|C<3>}	123.1230	0.000	1	123.1230	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(H){2|H<1>,3|C<3>}	122.1130	0.724	2	122.1130	0.524	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	119.2950	0.712	5	119.9532	1.247	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	119.9950	0.000	1	119.9532	1.247	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	119.8510	0.000	1	119.9532	1.247	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,2|N<2>,4|C<3>}	121.9040	0.000	1	119.9532	1.247	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	121.3540	0.000	1	119.9532	1.247	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Fe)(H){1|Fe<5>,1|H<1>,3|C<3>}	123.7380	0.000	1	123.7380	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Pt)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Pt)(H){1|Pt<4>,1|H<1>,3|C<3>}	123.5260	0.890	2	123.5260	0.791	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Re<6>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H){1|H<1>,3|C<3>}	124.6270	0.235	2	123.5247	0.615	7	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Re<6>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H){1|Re<6>,1|H<1>,3|C<3>}	123.0838	0.242	5	123.5247	0.615	7	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<5>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H){1|H<1>,3|C<3>}	124.1690	1.259	2	123.3204	0.548	8	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<5>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H){1|Ru<5>,1|H<1>,3|C<3>}	122.9648	0.290	4	123.3204	0.548	8	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H){1|H<1>,3|C<3>}	123.1830	0.124	2	123.3204	0.548	8	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Zn)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Zn)(H){1|H<1>,3|C<3>}	123.7040	0.632	2	123.7040	0.400	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H){2|H<1>,2|O<2>,3|C<3>}	124.2620	0.000	1	124.2620	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	121.3400	0.000	1	121.3400	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ir)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ir)(H){1|H<1>,1|N<2>,3|C<3>}	123.8125	1.006	2	123.8125	1.012	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mo)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Mo<7>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mo)(H){1|H<1>,1|N<2>,2|C<3>}	123.2035	0.398	2	123.2035	0.158	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.5250	0.259	2	122.5250	0.067	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	122.0490	0.000	1	122.0490	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	119.6810	0.000	1	119.8430	0.025	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	119.9950	0.000	1	119.8430	0.025	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,3|O<2>,4|C<3>}	119.8530	0.000	1	119.8430	0.025	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<4>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.5890	0.000	1	117.5890	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|Si<4>,1|C<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	116.4225	0.207	4	116.4225	0.043	4	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Nb<6>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H){2|Cl<1>,1|H<1>,3|O<2>,4|C<3>}	118.8070	0.000	1	118.8070	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	117.2250	0.000	1	117.2250	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	115.6739	0.355	7	115.7272	0.117	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|Si<4>,1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	115.9140	0.307	2	115.7272	0.117	9	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){2|Cl<1>,1|B<4>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	120.9143	0.290	3	120.9143	0.084	3	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<4>,2|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.5260	0.000	1	116.5260	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	121.9130	0.000	1	121.9130	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	123.1980	0.000	1	123.1980	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H){1|H<1>,3|O<2>,4|C<3>}	121.2530	0.000	1	121.2530	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H){1|H<1>,2|C<3>,3|O<2>}	121.4255	0.025	2	121.4255	0.001	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	121.9020	0.000	1	121.0879	0.229	16	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	121.1029	0.511	9	121.0879	0.229	16	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|C<3>,3|O<2>}	120.9950	0.000	1	121.0879	0.229	16	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	120.9166	0.364	5	121.0879	0.229	16	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H){1|Fe<10>,1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	120.7210	0.000	1	120.7210	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	120.8890	0.000	1	120.8890	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	122.5719	0.479	7	122.5734	2.713	11	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	121.6130	0.000	1	122.5734	2.713	11	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	123.8380	4.383	2	122.5734	2.713	11	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	121.0150	0.000	1	122.5734	2.713	11	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	117.6050	0.000	1	117.7505	0.042	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	117.8960	0.000	1	117.7505	0.042	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|N<4>,2|O<2>,4|C<3>}	116.9240	0.000	1	116.9240	0.000	1	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	123.0465	0.414	2	123.0465	0.171	2	121.1127	3.638	249	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]Cd)(N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){1|Cd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]Cd)(N){1|H<1>,4|C<3>}	122.6240	0.000	1	122.6240	0.000	1	122.6240	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	118.8434	0.197	5	118.8434	0.039	5	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	119.0350	0.349	2	119.0350	0.122	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	118.5300	0.000	1	118.4010	0.033	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	118.2720	0.000	1	118.4010	0.033	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	117.9950	0.000	1	117.9950	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.6466	0.269	5	118.6466	0.072	5	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O){1|C<4>,1|H<1>,4|C<3>}	117.1320	0.000	1	117.1320	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	118.8960	0.000	1	119.2205	0.211	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	119.5450	0.000	1	119.2205	0.211	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	117.6940	0.000	1	117.5632	0.111	4	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	117.9720	0.000	1	117.5632	0.111	4	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	117.2935	0.054	2	117.5632	0.111	4	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	118.8640	0.000	1	119.1765	0.195	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	119.4890	0.000	1	119.1765	0.195	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.2829	0.976	7	118.2829	0.952	7	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	119.0300	0.000	1	119.0300	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	118.6000	1.302	2	118.6000	1.696	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){2|C<3>,2|C<4>,2|H<1>}	118.2440	0.000	1	118.2440	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	119.4015	0.166	2	119.5433	0.074	3	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	119.8270	0.000	1	119.5433	0.074	3	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.5880	0.290	2	117.5880	0.084	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	118.8240	0.190	2	118.8240	0.036	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|H<1>,2|O<2>,3|C<3>}	118.3760	0.000	1	117.9667	0.149	3	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	117.7620	0.215	2	117.9667	0.149	3	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O){1|O<1>,2|H<1>,5|C<3>}	118.4420	0.000	1	118.4420	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	119.1950	0.000	1	118.6695	0.552	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	118.1440	0.000	1	118.6695	0.552	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,4|C<3>}	118.9055	0.315	2	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	118.1730	0.171	2	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.3430	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.5243	0.972	3	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	119.3500	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.7357	0.291	3	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	118.1020	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	116.9010	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	118.5510	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.3785	0.770	2	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.9960	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.4670	0.628	2	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){3|C<3>,3|H<1>}	118.4670	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	118.9785	0.899	8	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	119.3357	0.595	3	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	119.5100	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.5240	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.0350	0.281	4	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	118.8140	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.3150	0.000	1	118.6869	0.713	40	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5890	0.402	2	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	118.9350	0.000	1	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	118.8445	1.108	2	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	119.2900	0.000	1	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	119.3942	0.134	4	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	118.8533	0.828	3	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	119.1640	0.000	1	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.4330	0.000	1	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	118.7020	0.000	1	119.0955	0.308	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,1|O<2>,4|C<3>}	118.4390	0.000	1	118.1038	0.445	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.9220	0.000	1	118.1038	0.445	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,2|C<3>,3|H<1>}	117.9780	0.000	1	118.1038	0.445	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.5915	0.029	2	118.1038	0.445	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	117.8110	0.000	1	118.1038	0.445	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.5337	1.056	3	118.1038	0.445	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){2|C<3>,2|C<4>,2|H<1>}	117.9280	0.000	1	117.5631	1.291	7	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	118.5780	0.000	1	117.5631	1.291	7	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|C<3>,3|H<1>}	115.9760	0.153	2	117.5631	1.291	7	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	118.1613	0.472	3	117.5631	1.291	7	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	118.6750	0.000	1	118.6447	0.310	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.2490	0.116	4	118.6447	0.310	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	119.5615	0.305	2	118.6447	0.310	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.5040	0.003	2	118.6447	0.310	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|C<4>,1|H<1>,5|C<3>}	118.9810	0.000	1	119.2075	0.103	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ru<10>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|Ru<10>,1|C<4>,1|H<1>,4|C<3>}	119.4340	0.000	1	119.2075	0.103	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	118.5940	0.000	1	118.5940	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>}	118.0130	0.000	1	118.0130	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	118.8520	0.000	1	117.4520	0.635	5	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.1020	0.174	4	117.4520	0.635	5	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,5|C<3>}	119.0290	0.000	1	119.0290	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.9340	0.000	1	120.9340	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	121.4580	0.000	1	121.4580	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	120.2470	0.000	1	120.2470	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	120.0475	0.252	2	120.0475	0.064	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.7435	0.211	2	121.7435	0.045	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O){1|H<1>,1|N<3>,6|C<3>}	120.2390	0.000	1	120.2390	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.3810	0.188	2	121.3810	0.035	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	120.1630	0.000	1	119.9085	0.130	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	119.6540	0.000	1	119.9085	0.130	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.8160	0.000	1	120.8160	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.9500	0.000	1	119.9500	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.7220	0.000	1	120.3794	0.434	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.2450	0.680	6	120.3794	0.434	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	121.0190	0.000	1	120.3794	0.434	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.8110	0.000	1	120.3794	0.434	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	121.3195	0.200	2	120.3794	0.434	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	119.6895	0.433	2	120.3794	0.434	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	120.0103	0.115	3	120.3794	0.434	16	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.5625	0.359	2	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.4123	0.774	3	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.3570	0.027	6	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,4|C<3>}	120.6940	0.000	1	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	120.9269	0.364	9	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	121.1240	0.000	1	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4630	0.000	1	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	119.5043	0.185	3	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1080	0.000	1	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	120.2950	0.000	1	120.8944	0.463	28	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	119.5143	0.834	3	119.6465	0.801	8	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	119.0425	1.395	2	119.6465	0.801	8	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8810	0.000	1	119.6465	0.801	8	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8280	0.000	1	119.6465	0.801	8	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	119.8350	0.000	1	119.6465	0.801	8	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(O){1|N<3>,2|C<3>,2|H<1>}	122.2630	0.000	1	122.2630	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	120.4370	0.000	1	120.5098	0.326	6	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	120.8190	0.000	1	120.5098	0.326	6	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	120.6750	0.000	1	120.5098	0.326	6	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	120.5500	0.000	1	120.5098	0.326	6	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	119.4520	0.000	1	120.5098	0.326	6	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	121.1260	0.000	1	120.5098	0.326	6	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	119.5020	0.000	1	119.5020	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.3200	0.000	1	120.3200	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.3770	1.057	4	121.3770	1.116	4	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2660	0.000	1	122.2660	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.6080	0.000	1	121.6080	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Pd<4>,1|H<1>,1|O<2>,3|C<3>}	119.3365	0.514	2	119.3610	0.475	4	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	118.6240	0.000	1	119.3610	0.475	4	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	120.1470	0.000	1	119.3610	0.475	4	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<3>,2|H<1>,5|C<3>}	118.6230	0.000	1	117.6879	0.184	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	117.4760	0.000	1	117.6879	0.184	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<2>,2|H<1>,5|C<3>}	117.5846	0.281	7	117.6879	0.184	9	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|Se<2>,1|H<1>,1|O<1>,4|C<3>}	115.9440	0.000	1	115.9440	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.2380	0.000	1	119.3905	0.047	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	119.5430	0.000	1	119.3905	0.047	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.5120	0.129	2	120.0947	0.531	3	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,4|C<3>}	119.2600	0.000	1	120.0947	0.531	3	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7060	0.201	2	119.7060	0.040	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O){1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	117.7310	0.000	1	117.7310	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O){1|H<1>,1|N<3>,3|C<3>}	118.4850	0.000	1	118.4850	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O){1|N<3>,2|H<1>,3|C<3>}	119.3760	0.768	2	119.3760	0.590	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	119.0550	0.000	1	119.0550	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	118.9130	0.000	1	119.3980	0.470	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.8830	0.000	1	119.3980	0.470	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	120.6750	0.000	1	120.1262	0.175	5	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	119.8320	0.474	2	120.1262	0.175	5	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.1460	0.000	2	120.1262	0.175	5	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.3645	0.293	2	119.3645	0.086	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.4180	0.000	1	121.4180	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	120.9430	0.000	2	120.9430	0.000	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	122.5690	0.000	2	122.5690	0.000	2	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.0940	0.000	1	121.0940	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	118.6470	0.000	1	118.6470	0.000	1	119.3134	1.789	262	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S){1|C<4>,2|C<3>,3|H<1>}	120.4800	0.000	1	120.4800	0.000	1	121.5281	0.463	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){2|H<1>,3|C<3>}	120.9660	0.000	1	120.9660	0.000	1	121.5281	0.463	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.0730	0.139	2	122.2157	0.071	3	121.5281	0.463	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	122.5010	0.000	1	122.2157	0.071	3	121.5281	0.463	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	122.0670	0.000	1	122.0670	0.000	1	121.5281	0.463	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.0610	0.000	2	121.0610	0.000	2	121.5281	0.463	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.4710	0.000	1	121.4710	0.000	1	121.5281	0.463	9	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:Se-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|Se<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se){2|H<1>,3|C<3>}	121.0650	0.221	2	121.0650	0.049	2	121.0650	0.049	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:Si[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]Si[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]Si[6]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	117.3765	0.132	2	117.3765	0.017	2	117.3765	0.017	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<6>,3|B<6>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<6>,2|C<3>,2|H<1>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	119.1980	1.031	2	119.1980	1.063	2	119.1980	1.063	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	115.2600	0.000	1	115.9995	1.094	2	115.9995	1.094	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	116.7390	0.000	1	115.9995	1.094	2	115.9995	1.094	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|I<1>,1|N<3>,2|C<3>}	126.2030	0.000	1	125.9672	0.135	5	125.9672	0.135	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Ni<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	125.7700	0.000	1	125.9672	0.135	5	125.9672	0.135	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	125.9543	0.472	3	125.9672	0.135	5	125.9672	0.135	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|I<1>,3|C<3>}	122.9520	0.000	1	122.9520	0.000	1	122.4844	1.170	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|I<1>,3|C<3>}	121.2480	0.085	2	121.2480	0.007	2	122.4844	1.170	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	121.8600	0.334	2	122.7709	1.112	7	122.4844	1.170	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	122.7400	0.000	1	122.7709	1.112	7	122.4844	1.170	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	121.5070	0.000	1	122.7709	1.112	7	122.4844	1.170	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|I<1>,3|C<3>}	123.9760	0.000	1	122.7709	1.112	7	122.4844	1.170	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	123.7265	0.159	2	122.7709	1.112	7	122.4844	1.170	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|O<1>}	122.8735	0.344	2	122.8735	0.119	2	122.8735	0.119	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	123.7020	0.000	1	123.7020	0.000	1	123.1835	0.538	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.6650	0.000	1	122.6650	0.000	1	123.1835	0.538	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	123.7030	0.000	1	123.7030	0.000	1	123.7030	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.9560	0.000	1	116.9560	0.000	1	121.2256	5.928	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Cd<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	121.4950	0.000	1	122.2930	0.309	4	121.2256	5.928	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Mn<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	122.7250	0.000	1	122.2930	0.309	4	121.2256	5.928	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Mn<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	122.3410	0.000	1	122.2930	0.309	4	121.2256	5.928	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Pb<4>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	122.6110	0.000	1	122.2930	0.309	4	121.2256	5.928	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O){1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(Cl){1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	122.1395	0.573	2	122.1395	0.329	2	122.1395	0.329	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	117.2010	0.011	2	117.2010	0.000	2	118.0592	1.032	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	118.9175	0.388	2	118.9175	0.151	2	118.0592	1.032	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	124.6080	0.000	1	124.6080	0.000	1	123.4450	2.705	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	122.2820	0.000	1	122.2820	0.000	1	123.4450	2.705	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.8810	0.106	2	119.1253	0.136	17	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.4280	0.092	2	119.1253	0.136	17	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|F<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.7355	0.224	2	119.1253	0.136	17	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.3858	0.261	4	119.1253	0.136	17	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	118.5110	0.000	1	119.1253	0.136	17	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){2|S<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.1195	0.251	2	119.1253	0.136	17	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.1870	0.437	4	119.1253	0.136	17	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.3760	0.000	1	119.3760	0.000	1	119.1392	0.132	18	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	121.5360	0.281	2	121.5360	0.079	2	121.5360	0.079	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	120.9770	0.000	1	120.9770	0.000	1	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Ag<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.5300	0.000	1	122.3483	0.481	6	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|W<7>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|W<7>,2|C<3>,2|H<1>}	122.1810	0.000	1	122.3483	0.481	6	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	123.1410	0.000	1	122.3483	0.481	6	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Ni<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	122.4260	0.000	1	122.3483	0.481	6	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Re<6>,1|Re<7>,1|C<4>,1|H<1>,2|C<3>}	123.1370	0.000	1	122.3483	0.481	6	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|Pd<4>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	121.6750	0.000	1	122.3483	0.481	6	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,3|C<3>}	121.0620	0.000	1	121.0620	0.000	1	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	123.8060	0.000	1	123.8060	0.000	1	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	121.7500	0.000	1	121.7500	0.000	1	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	121.3800	0.000	1	121.3800	0.000	1	122.0968	0.867	11	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|F<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.1870	0.246	2	119.6785	0.342	4	119.6785	0.342	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.1700	0.021	2	119.6785	0.342	4	119.6785	0.342	4	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	118.5230	0.000	1	118.5230	0.000	1	121.6260	4.695	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|B<4>,1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	121.1125	0.243	2	121.1125	0.059	2	121.6260	4.695	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ru)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ru)(H){1|H<1>,1|N<2>,3|C<3>}	123.6910	0.190	2	123.6910	0.036	2	121.6260	4.695	5	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	118.6335	0.305	2	118.6335	0.093	2	118.6335	0.093	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	120.6590	0.000	1	120.6590	0.000	1	120.6590	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:S-1:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(S)	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(S){2|S<1>,5|C<3>}	119.6570	0.318	2	119.6570	0.101	2	119.6570	0.101	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]N[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]N[6,6,6a]C[6a])(C[6]C[6a]N[6])(H){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	122.3640	0.091	2	122.3640	0.008	2	122.3640	0.008	2	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	122.6720	0.000	1	123.0730	0.440	3	123.0730	0.440	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	123.2735	0.800	2	123.0730	0.440	3	123.0730	0.440	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	122.9440	0.000	1	122.9440	0.000	1	122.6125	0.404	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	122.5500	0.000	1	122.4016	0.191	8	122.6125	0.404	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	122.0765	0.025	2	122.4016	0.191	8	122.6125	0.404	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	122.9430	0.000	1	122.4016	0.191	8	122.6125	0.404	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.1520	0.000	1	122.4016	0.191	8	122.6125	0.404	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	122.4717	0.605	3	122.4016	0.191	8	122.6125	0.404	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|Ru<6>,1|H<1>,5|C<3>}	123.9680	0.000	1	123.9680	0.000	1	122.6125	0.404	10	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	118.6270	0.000	1	118.6270	0.000	1	119.9400	2.626	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.4420	0.000	1	119.4420	0.000	1	119.9400	2.626	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,4|C<3>}	121.7510	0.000	1	121.7510	0.000	1	119.9400	2.626	3	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.5240	0.000	1	121.5240	0.000	1	121.5240	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]N[6,6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(N[6,6a]C[6,6a]C[6])(O){2|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	124.0490	0.000	1	124.0490	0.000	1	124.0490	0.000	1	122.4740	5.697	9836	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN){1|H<1>,1|O<1>,3|C<3>}	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a]){1|H<1>,2|C<4>,3|C<3>}	118.5970	0.000	1	118.5970	0.000	1	118.5970	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	121.8100	0.000	1	121.8100	0.000	1	121.8100	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC){1|H<1>,1|S<2>,4|C<3>}	119.7915	0.037	2	119.7915	0.001	2	119.7915	0.001	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]N)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH){1|H<1>,6|C<3>}	120.5580	0.000	1	120.5580	0.000	1	122.4417	2.363	4	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	124.2100	0.000	1	124.2100	0.000	1	122.4417	2.363	4	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	122.0480	0.000	1	122.0480	0.000	1	122.4417	2.363	4	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	122.9510	0.000	1	122.9510	0.000	1	122.4417	2.363	4	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6]){1|H<1>,8|C<3>}	121.5230	0.000	1	121.5230	0.000	1	122.6995	2.768	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6]){1|H<1>,1|N<2>,7|C<3>}	123.8760	0.000	1	123.8760	0.000	1	122.6995	2.768	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	120.9697	0.302	6	120.9697	0.091	6	120.9697	0.091	6	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){2|H<1>,5|C<3>}	120.9127	1.032	6	121.0727	0.852	8	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|C<4>,2|H<1>,4|C<3>}	121.5530	0.158	2	121.0727	0.852	8	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	119.0447	0.304	3	119.0447	0.093	3	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC){1|N<3>,2|H<1>,4|C<3>}	124.2125	1.327	2	124.2125	1.762	2	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	122.0080	0.000	1	122.0080	0.000	1	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NH){1|N<3>,2|H<1>,4|C<3>}	122.9500	0.044	2	122.9500	0.002	2	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|N<3>,2|H<1>,4|C<3>}	123.2308	2.040	4	123.2308	4.163	4	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|S<2>,2|H<1>,4|C<3>}	119.7750	0.000	1	119.7750	0.000	1	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|S<2>,2|H<1>,4|C<3>}	121.5000	0.000	1	121.5000	0.000	1	121.6476	3.505	22	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	119.9117	0.437	3	119.9117	0.191	3	119.8725	0.412	12	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OCu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OCu){1|H<1>,1|O<2>,5|C<3>}	119.4070	0.000	1	119.4070	0.000	1	119.8725	0.412	12	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	118.5420	0.000	1	120.0233	0.545	7	119.8725	0.412	12	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	120.3188	0.401	5	120.0233	0.545	7	119.8725	0.412	12	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|O<2>,5|C<3>}	120.0270	0.000	1	120.0233	0.545	7	119.8725	0.412	12	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OZn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OZn){1|H<1>,1|O<2>,5|C<3>}	119.1650	0.000	1	119.1650	0.000	1	119.8725	0.412	12	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC){1|N<3>,2|H<1>,4|C<3>}	123.8325	0.176	2	123.8325	0.031	2	123.8325	0.031	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	122.6330	0.000	1	122.6330	0.000	1	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	122.1260	0.000	1	122.1260	0.000	1	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	123.8660	0.000	1	123.8660	0.000	1	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	124.2880	1.035	2	123.9397	0.900	3	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	123.2430	0.000	1	123.9397	0.900	3	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	125.0770	0.000	1	125.6702	0.242	6	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,4|H<1>,5|C<3>}	125.1950	0.000	1	125.6702	0.242	6	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	125.9373	0.340	4	125.6702	0.242	6	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	122.6140	0.000	1	122.6140	0.000	1	124.3907	2.091	13	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	121.5330	0.000	1	121.6295	0.019	2	121.6295	0.019	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H){1|Au<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	121.7260	0.000	1	121.6295	0.019	2	121.6295	0.019	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6]){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	123.5930	0.000	1	123.5930	0.000	1	123.5930	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo){1|N<3>,2|C<3>,2|H<1>}	118.2935	0.293	2	118.2935	0.086	2	119.2758	1.315	4	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|H<1>,1|N<3>,2|C<3>}	120.2580	0.014	2	120.2580	0.000	2	119.2758	1.315	4	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	121.9135	0.026	2	121.9135	0.001	2	121.9135	0.001	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	121.3953	0.176	3	121.3953	0.031	3	121.3953	0.031	3	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|Cl<1>,1|N<3>,2|C<3>,2|O<1>}	124.7510	0.000	1	124.7510	0.000	1	124.7510	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ti)(NO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]N[6]N){1|Ti<11>,2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ti)(NO){1|F<1>,1|N<3>,2|C<3>}	123.9360	0.000	1	123.9360	0.000	1	123.9360	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC){1|H<1>,6|C<3>}	122.1510	0.000	1	122.1510	0.000	1	123.0998	1.333	8	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC){1|N<3>,2|C<3>,2|H<1>}	124.3210	0.716	2	124.3210	0.512	2	123.0998	1.333	8	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC){1|N<3>,2|C<3>,2|H<1>}	122.5990	0.153	2	122.5990	0.023	2	123.0998	1.333	8	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	122.0865	0.033	2	122.0865	0.001	2	123.0998	1.333	8	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.6340	0.000	1	124.6340	0.000	1	123.0998	1.333	8	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN){1|H<1>,4|C<3>}	122.1080	0.000	1	122.1080	0.000	1	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN){1|H<1>,4|C<3>}	123.5420	0.000	1	123.5420	0.000	1	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN){1|C<4>,1|H<1>,3|C<3>}	122.2660	0.000	1	122.2660	0.000	1	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NN){1|H<1>,4|C<3>}	120.3440	0.000	1	120.3440	0.000	1	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NC)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	122.0880	1.088	2	122.0880	1.183	2	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	120.9950	0.000	1	121.4750	0.972	6	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	121.5710	1.071	5	121.4750	0.972	6	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|C<4>,1|H<1>,3|C<3>}	121.7618	0.521	4	121.7896	0.208	5	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){2|H<1>,3|C<3>}	121.9010	0.000	1	121.7896	0.208	5	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,4|C<3>}	122.9100	0.000	1	122.4511	0.211	46	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	122.4409	0.459	45	122.4511	0.211	46	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|Cl<1>,1|H<1>,3|C<3>}	123.6640	1.762	2	123.6268	1.404	5	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|H<1>,1|I<1>,3|C<3>}	123.8340	0.000	1	123.6268	1.404	5	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){2|H<1>,3|C<3>}	123.4860	1.557	2	123.6268	1.404	5	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(NN){1|C<4>,1|H<1>,2|C<3>}	125.2565	0.056	2	125.2565	0.003	2	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<3>,2|C<3>,2|H<1>}	121.6845	0.272	2	121.6845	0.074	2	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	120.2520	0.000	1	120.2520	0.000	1	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<2>,2|C<3>,2|H<1>}	122.6710	0.000	1	122.6710	0.000	1	122.4044	0.884	74	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC){1|H<1>,2|C<4>,3|C<3>}	121.7357	0.335	4	121.7357	0.112	4	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	118.0820	0.000	1	118.0820	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OB)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OB){1|H<1>,4|C<3>}	119.3120	0.000	1	119.3120	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OH){1|H<1>,1|N<2>,3|C<3>}	122.3420	0.124	2	122.3420	0.015	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	120.0350	0.000	1	120.0350	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC){1|H<1>,5|C<3>}	122.2010	0.498	2	122.2010	0.248	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH){1|H<1>,5|C<3>}	121.2150	0.000	1	121.2150	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl){1|C<4>,2|C<3>,3|H<1>}	120.1019	0.437	9	120.1019	0.191	9	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	121.8290	0.000	1	121.8290	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|H<1>,1|O<1>,3|C<3>}	121.4420	0.286	2	121.4420	0.082	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|C<3>,3|H<1>}	121.1157	0.663	3	121.1157	0.440	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	122.5564	0.871	5	122.5564	0.758	5	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6]){1|H<1>,4|C<3>}	122.5660	0.102	2	122.5660	0.010	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(OPd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(OPd){2|H<1>,3|C<3>}	120.8737	1.024	3	120.8737	1.049	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCd){2|H<1>,3|C<3>}	120.3620	0.000	1	120.3620	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){1|H<1>,4|C<3>}	120.2600	0.000	1	120.3840	0.031	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){2|H<1>,3|C<3>}	120.5080	0.000	1	120.3840	0.031	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OIr)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OIr){2|H<1>,3|C<3>}	121.2230	0.741	2	121.2230	0.549	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OOs)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OOs){1|C<4>,1|H<1>,3|C<3>}	121.4620	0.000	1	121.4620	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	124.0610	0.413	3	124.0610	0.170	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa){1|N<3>,2|C<3>,2|H<1>}	118.5040	0.045	2	118.5040	0.002	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa){1|N<3>,2|C<3>,2|H<1>}	119.5383	0.172	3	119.5383	0.030	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo){1|N<3>,2|C<3>,2|H<1>}	120.7263	1.653	3	120.7263	2.733	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	120.6860	0.465	7	120.5213	0.403	8	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	119.3680	0.000	1	120.5213	0.403	8	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	122.1420	0.566	4	122.1420	0.320	4	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){1|N<3>,2|C<3>,2|H<1>}	120.5280	0.000	1	120.5280	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|N<3>,2|C<3>,2|H<1>}	119.6270	0.184	3	119.6270	0.034	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn){1|N<3>,2|C<3>,2|H<1>}	120.5760	0.000	1	120.5760	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|C<3>,2|H<1>}	119.6510	0.298	2	119.6510	0.089	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC){1|H<1>,2|N<3>,3|C<3>}	122.4540	0.000	1	122.4540	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Ir<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	122.7030	0.000	1	122.3407	1.122	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	121.1480	0.000	1	122.3407	1.122	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	123.1710	0.000	1	122.3407	1.122	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	123.1540	0.000	1	123.1540	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|N<3>,3|C<3>}	122.3590	0.000	1	122.9934	0.646	5	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.9370	0.000	1	122.9934	0.646	5	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|N<3>,3|C<3>}	122.6670	0.000	1	122.9934	0.646	5	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|N<3>,2|C<3>,2|H<1>}	123.0020	1.089	2	122.9934	0.646	5	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	119.3960	0.000	1	120.1130	0.283	7	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.2627	0.600	4	120.1130	0.283	7	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.1720	0.085	2	120.1130	0.283	7	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|O<2>,2|H<1>,3|C<3>}	124.8080	0.000	1	124.8080	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){2|C<3>,2|H<1>,2|O<2>}	122.2420	0.000	1	122.2420	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){2|C<3>,2|H<1>,2|O<2>}	122.9245	0.759	2	122.9245	0.576	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.8130	0.000	1	123.8130	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|O<2>,3|C<3>}	123.6570	0.000	1	123.6570	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){1|H<1>,1|O<2>,3|C<3>}	123.3620	0.000	1	123.3620	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCu)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCu){1|H<1>,1|O<2>,3|C<3>}	123.5125	0.025	2	123.5125	0.001	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OFe)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OFe){1|H<1>,1|O<2>,3|C<3>}	123.4990	0.000	1	123.4990	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OMn)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OMn){1|H<1>,1|O<2>,3|C<3>}	122.9650	0.000	1	122.9650	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(ONi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(ONi){1|H<1>,1|O<2>,3|C<3>}	123.2537	0.724	3	123.2537	0.524	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	121.2180	0.000	1	121.2180	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.3850	0.662	2	121.3850	0.438	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|H<1>,1|S<4>,2|C<3>}	122.2610	0.000	1	121.1817	0.230	80	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.2448	0.450	67	121.1817	0.230	80	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	120.7393	0.305	12	121.1817	0.230	80	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.0200	0.601	3	120.0200	0.362	3	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.6670	0.000	1	120.6670	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.8330	0.000	1	121.8330	0.000	1	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.0455	0.351	2	122.0455	0.124	2	121.2978	1.395	194	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]){1|H<1>,1|O<1>,3|C<3>}	122.3087	0.199	3	122.3087	0.040	3	123.4650	1.184	9	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|H<1>,1|N<3>,4|C<3>}	123.3380	0.000	1	123.5435	0.084	2	123.4650	1.184	9	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|N<3>,2|C<3>,2|H<1>}	123.7490	0.000	1	123.5435	0.084	2	123.4650	1.184	9	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(SC){1|N<3>,2|C<3>,2|H<1>}	124.4415	0.128	2	124.4415	0.016	2	123.4650	1.184	9	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|H<1>,1|O<2>,4|C<3>}	125.2480	0.000	1	125.2480	0.000	1	123.4650	1.184	9	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.0410	0.000	1	123.0410	0.000	1	123.4650	1.184	9	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Se-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Se)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Se){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a]){1|O<2>,2|C<3>,3|H<1>}	125.2930	0.000	1	125.2930	0.000	1	125.2930	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC){2|H<1>,3|C<3>}	121.4670	0.153	2	121.4670	0.023	2	121.4670	0.023	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.1000	0.000	1	122.1000	0.000	1	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	122.0698	0.538	13	122.0804	0.269	14	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|Ni<6>,1|H<1>,3|C<3>}	122.2180	0.000	1	122.0804	0.269	14	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(NC[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Co<5>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	122.4400	0.000	1	122.4400	0.000	1	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Fe<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	122.7970	0.049	2	122.7970	0.002	2	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(NC[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	122.1363	0.278	4	122.1363	0.078	4	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	124.2450	0.000	1	124.2450	0.000	1	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	119.8600	0.000	1	120.9645	0.549	6	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.1500	0.187	2	120.9645	0.549	6	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	121.2090	0.789	3	120.9645	0.549	6	121.9943	0.700	29	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]2){1|Ir<6>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	124.6045	0.435	2	124.6045	0.189	2	124.3610	0.272	3	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	123.8740	0.000	1	123.8740	0.000	1	124.3610	0.272	3	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH){2|H<1>,3|C<3>}	119.9180	0.000	1	119.9180	0.000	1	119.9180	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(O){2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|O<1>}	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	120.3870	1.085	2	120.3870	1.177	2	120.3870	1.177	2	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	123.7810	0.000	1	123.7810	0.000	1	123.7810	0.000	1	121.7610	2.145	408	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	B[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]B[6,6a]C[6])(H)	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]B[6,6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	123.5270	0.000	1	123.5270	0.000	1	123.5270	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	127.4925	0.284	2	127.4925	0.080	2	127.4925	0.080	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	126.6805	0.107	2	126.6805	0.011	2	126.6805	0.011	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	125.4300	0.000	1	125.4300	0.000	1	125.4300	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	124.3760	0.000	1	124.3760	0.000	1	124.3760	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[5]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(C[5]S[5]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(C[5]S[5]2){1|H<1>,6|C<3>}	124.1980	0.000	1	124.1980	0.000	1	124.1980	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	124.6060	0.000	1	124.6060	0.000	1	125.1903	4.068	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	123.5300	0.000	1	123.5300	0.000	1	125.1903	4.068	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	127.4350	0.000	1	127.4350	0.000	1	125.1903	4.068	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(CBr2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(CBr2){1|H<1>,4|C<3>}	123.3470	0.000	1	123.3470	0.000	1	123.3470	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	123.6860	0.024	2	123.6860	0.001	2	123.6860	0.001	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|N<2>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	125.1670	0.000	1	125.3750	0.087	2	125.3750	0.087	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	125.5830	0.000	1	125.3750	0.087	2	125.3750	0.087	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|F<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,2|H<1>,6|C<3>}	125.4410	0.000	1	125.7870	0.325	3	125.7870	0.325	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|F<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,3|H<1>,5|C<3>}	125.9600	0.686	2	125.7870	0.325	3	125.7870	0.325	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C){1|C<4>,2|H<1>,4|C<3>}	122.6715	0.094	2	122.6715	0.009	2	122.6715	0.009	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	121.7344	0.352	5	121.7344	0.124	5	122.0459	0.555	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|N<3>,2|H<1>,6|C<3>}	123.5780	0.000	1	123.5780	0.000	1	122.0459	0.555	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2){1|S<2>,1|S<4>,3|H<1>,6|C<3>}	122.0710	0.000	1	122.0710	0.000	1	122.0459	0.555	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.5535	0.155	2	120.5535	0.024	2	120.5535	0.024	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	122.5480	0.531	4	122.5480	0.282	4	122.5480	0.282	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[5]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H){1|B<3>,1|H<1>,2|C<3>,3|C<4>}	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	120.9400	0.000	1	120.7512	0.132	4	121.0507	0.296	6	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	120.6883	0.417	3	120.7512	0.132	4	121.0507	0.296	6	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	121.7100	0.000	1	121.7100	0.000	1	121.0507	0.296	6	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	121.5890	0.000	1	121.5890	0.000	1	121.0507	0.296	6	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,6|C<3>}	123.7500	0.000	1	123.7500	0.000	1	123.0765	0.304	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	122.4160	0.000	1	122.4160	0.000	1	123.0765	0.304	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	123.0700	0.150	2	123.0700	0.022	2	123.0765	0.304	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C){2|H<1>,7|C<3>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N){1|N<3>,2|H<1>,6|C<3>}	121.2570	0.000	1	121.2570	0.000	1	123.2197	2.907	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(N[6]C[6]Ir){2|H<1>,5|C<3>}	124.2010	0.191	2	124.2010	0.036	2	123.2197	2.907	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H){3|C<3>,4|C<4>,4|H<1>}	122.9580	0.000	1	122.9580	0.000	1	122.9575	0.000	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O){3|C<3>,4|C<4>,4|H<1>}	122.9570	0.000	1	122.9570	0.000	1	122.9575	0.000	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	122.5710	0.000	1	122.5710	0.000	1	123.0684	1.120	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	122.2880	0.000	1	122.2880	0.000	1	123.0684	1.120	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	121.8320	0.000	1	121.8320	0.000	1	123.0684	1.120	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	122.8830	0.144	2	122.8830	0.021	2	123.0684	1.120	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,6|C<3>}	124.3040	0.000	1	124.3040	0.000	1	123.0684	1.120	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|Rh<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<2>,2|N<3>,4|C<3>,4|H<1>}	124.7180	0.000	1	124.7180	0.000	1	123.0684	1.120	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	125.0930	0.000	1	125.0930	0.000	1	124.5075	0.686	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.9220	0.000	1	123.9220	0.000	1	124.5075	0.686	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	122.1505	0.196	2	122.1505	0.038	2	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	122.5278	0.373	20	122.5278	0.139	20	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	123.1095	0.141	2	123.1095	0.020	2	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	122.8712	0.612	6	122.8712	0.375	6	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(COO){1|N<3>,2|H<1>,4|C<3>}	122.6939	0.402	31	122.6939	0.161	31	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN){1|H<1>,1|N<3>,5|C<3>}	121.4580	0.000	1	121.4580	0.000	1	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO){1|H<1>,1|N<3>,5|C<3>}	121.2440	0.605	2	121.2440	0.366	2	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|O<2>,2|H<1>,4|C<3>}	125.9045	0.717	4	125.9045	0.514	4	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.5763	0.318	4	124.5763	0.101	4	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	121.3170	0.000	1	121.3170	0.000	1	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	122.1640	0.000	1	122.1640	0.000	1	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<4>,2|H<1>,4|C<3>}	123.8570	1.434	2	123.1895	0.787	6	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<2>,2|H<1>,4|C<3>}	122.8558	0.425	4	123.1895	0.787	6	122.8788	1.004	80	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|N<3>,2|H<1>,8|C<3>}	125.0610	0.363	6	125.0610	0.132	6	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	126.1370	0.110	2	122.5537	3.947	10	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	121.6579	0.698	8	122.5537	3.947	10	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	122.3125	1.522	2	122.3125	2.318	2	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|O<2>,2|H<1>,8|C<3>}	123.0505	0.077	2	123.0505	0.006	2	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]P[5]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|P<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]P[5]2){1|O<2>,2|H<1>,8|C<3>}	125.2970	0.243	4	125.2970	0.059	4	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|S<2>,2|H<1>,2|N<2>,6|C<3>}	122.6570	0.000	1	122.6570	0.000	1	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	123.1995	1.667	2	123.1995	2.778	2	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2){1|S<2>,2|H<1>,2|O<1>,6|C<3>}	122.2650	1.701	2	122.2650	2.894	2	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|Se<2>,2|H<1>,2|N<2>,6|C<3>}	121.9030	0.000	1	121.9030	0.000	1	123.4435	3.120	30	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5a,6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	121.8350	0.000	1	121.8350	0.000	1	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	123.7665	0.095	4	123.6517	0.548	10	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	124.2055	0.076	4	123.6517	0.548	10	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|C<4>,2|H<1>,8|C<3>}	122.3145	0.183	2	123.6517	0.548	10	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	122.4960	1.086	2	122.4960	1.180	2	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|N<3>,3|H<1>,7|C<3>}	122.0658	0.128	4	122.0658	0.016	4	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	125.6643	0.100	3	125.6643	0.010	3	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,2|O<2>,3|H<1>,6|C<3>}	126.3115	1.018	2	125.8580	1.673	8	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	125.7068	1.423	6	125.8580	1.673	8	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	124.7440	0.000	1	124.7440	0.000	1	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|S<2>,4|H<1>,6|C<3>}	123.2130	1.327	2	123.1347	0.857	4	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	123.6840	0.000	1	123.1347	0.857	4	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	122.4290	0.000	1	123.1347	0.857	4	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	122.0940	1.035	2	122.0940	1.072	2	123.9124	2.747	35	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	123.0180	0.884	2	123.0180	0.781	2	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	124.7960	0.065	2	124.7960	0.004	2	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	121.2555	0.822	2	121.0198	0.436	4	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	120.7840	0.639	2	121.0198	0.436	4	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	119.8060	0.363	2	119.8060	0.132	2	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	121.7507	0.910	86	121.7916	0.829	90	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	122.8230	0.047	2	121.7916	0.829	90	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	122.5200	0.158	2	121.7916	0.829	90	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|P<3>,3|H<1>,6|C<3>}	121.7173	0.199	4	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	121.3835	0.175	10	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	121.8786	0.330	8	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	121.6180	0.427	4	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	123.1340	0.103	2	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	121.7260	0.355	2	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	121.9980	0.000	1	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	123.2140	0.020	2	121.8288	0.355	33	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	124.6245	0.592	4	123.7793	1.966	6	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	122.0890	0.454	2	123.7793	1.966	6	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	123.6255	0.238	2	123.6255	0.057	2	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	124.4260	0.175	4	124.8403	0.260	20	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<4>,3|H<1>,6|C<3>}	125.2777	0.267	4	124.8403	0.260	20	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	124.8817	0.617	9	124.8403	0.260	20	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	124.6160	0.124	2	124.8403	0.260	20	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	124.8240	0.000	1	124.8403	0.260	20	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	124.2470	0.000	1	124.2470	0.000	1	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Si<4>,4|H<1>,6|C<3>}	119.9845	0.093	2	119.9845	0.009	2	122.2675	1.996	164	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	122.3290	0.000	1	122.3290	0.000	1	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	124.8140	0.409	2	124.2004	1.724	14	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	124.0982	1.394	12	124.2004	1.724	14	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	122.1090	0.069	2	122.9667	0.211	60	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	122.9962	0.438	58	122.9667	0.211	60	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHN){1|N<3>,2|H<1>,4|C<3>}	124.4420	1.189	2	124.4420	1.415	2	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH){1|H<1>,1|N<3>,4|C<3>}	123.7660	0.000	1	123.7660	0.000	1	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	123.0025	0.378	2	123.0025	0.143	2	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|O<2>,2|H<1>,4|C<3>}	126.4315	0.960	2	126.4315	0.921	2	123.3006	0.974	82	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5]){1|N<3>,3|C<4>,3|H<1>,5|C<3>}	121.1990	0.266	2	121.1990	0.071	2	121.1990	0.071	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|B<3>,3|H<1>,7|C<3>}	119.0930	0.000	1	119.0930	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	121.5170	0.000	1	121.5170	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	122.9410	0.000	1	122.9410	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	123.3490	0.000	1	123.3490	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	122.8400	0.000	1	122.8400	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.4140	0.000	1	121.4140	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	122.5240	0.000	1	121.3745	2.643	2	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.2250	0.000	1	121.3745	2.643	2	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.9110	0.356	2	120.9110	0.127	2	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	119.3310	0.151	2	119.3310	0.023	2	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	121.6490	0.000	1	121.6490	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	121.2310	0.458	2	121.2897	0.148	7	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	120.8480	0.000	1	121.2897	0.148	7	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	121.7670	0.000	1	121.2897	0.148	7	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	121.3170	0.351	3	121.2897	0.148	7	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	123.4990	0.000	1	123.4990	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	120.6180	0.000	1	121.5680	1.805	2	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.5180	0.000	1	121.5680	1.805	2	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.8540	0.000	1	118.8540	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	118.4240	0.000	1	118.4240	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	123.4790	0.000	1	123.4790	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	123.3230	0.000	1	123.3230	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	123.9900	0.000	1	123.9900	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	124.9890	0.000	1	124.9890	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	121.8110	0.000	1	121.8110	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	125.6410	0.000	1	125.6410	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2){2|N<3>,3|H<1>,4|C<3>}	123.3070	0.000	1	123.3070	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	122.4580	0.000	1	122.4580	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	121.4140	0.000	1	121.4140	0.000	1	121.7467	2.863	34	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]C[6]Pd){3|H<1>,6|C<3>}	124.6360	0.768	2	124.6360	0.590	2	123.9733	0.470	8	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(N[6]C[6]Ir){2|H<1>,6|C<3>}	123.8985	0.306	2	123.8985	0.094	2	123.9733	0.470	8	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Co<6>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Co){1|C<4>,2|H<1>,5|C<3>}	124.5230	0.000	1	124.5230	0.000	1	123.9733	0.470	8	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Pd){2|C<4>,3|H<1>,4|C<3>}	122.9090	0.000	1	122.9090	0.000	1	123.9733	0.470	8	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]N[6]Co)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Co<6>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]N[6]Co){1|Co<6>,2|H<1>,5|C<3>}	123.6425	0.255	2	123.6425	0.065	2	123.9733	0.470	8	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	121.7530	0.000	1	121.7530	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(H){1|N<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	125.6100	0.884	2	125.6100	0.781	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ag<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.0438	0.363	8	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Co<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	124.8332	0.291	6	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.9281	0.582	10	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	123.5790	0.309	8	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Hg<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.4728	0.510	4	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Hg<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	123.6430	0.885	2	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	124.7940	0.324	2	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Mo<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	124.2240	0.614	2	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ni<3>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	125.7660	0.214	2	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Os<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	124.8030	1.203	4	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.3320	0.704	4	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	124.7207	1.063	14	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Re<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	122.6963	0.548	4	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	125.5930	0.157	2	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	124.7640	0.546	2	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Sn<6>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	123.3340	0.270	2	124.0632	1.015	76	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	123.9445	0.497	2	123.9445	0.247	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	123.0850	0.000	1	123.0850	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|H<1>}	121.3900	0.000	1	121.3900	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C){2|H<1>,8|C<3>}	122.5240	0.000	1	122.5240	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,7|C<3>}	124.1030	0.000	1	122.7216	0.581	7	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	122.7470	0.000	1	122.7216	0.581	7	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	122.4402	0.544	5	122.7216	0.581	7	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H){1|O<1>,2|H<1>,6|C<3>}	123.7740	0.000	1	123.7740	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|O<1>,3|H<1>,5|C<3>}	120.8620	0.000	1	120.8620	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	121.3943	1.375	3	121.7756	0.677	10	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,7|C<3>}	122.0727	0.244	4	121.7756	0.677	10	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	121.2470	0.000	1	121.7756	0.677	10	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	121.3280	0.000	1	121.7756	0.677	10	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.7070	0.000	1	121.7756	0.677	10	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	121.5470	0.000	1	122.0970	0.605	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	122.6470	0.000	1	122.0970	0.605	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|C<4>,4|C<3>,5|H<1>}	122.5500	0.000	1	122.5500	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.0970	0.000	1	120.0970	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,3|H<1>,5|C<3>}	122.5175	0.786	2	123.5994	1.188	5	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){4|H<1>,5|C<3>}	124.3207	0.342	3	123.5994	1.188	5	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C){3|H<1>,5|C<3>}	122.6870	0.000	1	122.6870	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|Mo<6>,3|H<1>,5|C<3>}	119.9315	0.634	2	119.8930	0.186	4	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|C<4>,1|S<1>,3|H<1>,5|C<3>}	119.8545	0.385	2	119.8930	0.186	4	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H){3|C<4>,3|H<1>,4|C<3>}	118.6825	0.542	2	118.6825	0.294	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	123.2160	0.000	1	123.7174	0.865	5	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	122.9440	0.000	1	123.7174	0.865	5	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<1>,3|H<1>,4|C<3>}	124.7150	0.315	2	123.7174	0.865	5	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	122.9970	0.000	1	123.7174	0.865	5	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	122.8220	0.078	2	122.8220	0.006	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>,3|N<3>}	121.9810	0.000	1	121.9810	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	121.4660	0.000	1	122.4065	0.440	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.4690	0.368	4	122.4065	0.440	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	122.1270	0.233	2	122.4065	0.440	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.6560	0.000	1	122.4065	0.440	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,5|H<1>}	123.1065	0.117	2	123.2569	0.346	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,5|H<1>}	122.4490	0.000	1	123.2569	0.346	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	124.3730	0.000	1	123.2569	0.346	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	123.1745	0.136	2	123.2569	0.346	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	123.3355	0.648	2	123.2569	0.346	8	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	122.8770	0.000	1	122.8770	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I){1|O<2>,4|C<3>,5|H<1>}	122.2860	0.000	1	122.2860	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	123.9130	0.000	1	124.2890	0.283	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<3>}	124.6650	0.000	1	124.2890	0.283	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	123.5550	0.000	1	123.5550	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|O<2>,4|C<3>,4|H<1>}	124.4180	0.000	1	124.4180	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|C<3>,5|H<1>}	123.8060	0.000	1	123.8060	0.000	1	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|P<4>,3|H<1>,4|C<3>}	120.8800	0.000	1	121.2535	0.279	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|H<1>,5|C<3>}	121.6270	0.000	1	121.2535	0.279	2	123.3034	2.138	152	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H){2|H<1>,7|C<3>}	122.3290	0.000	1	122.3290	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|O<2>,2|H<1>,6|C<3>}	121.3320	0.000	1	121.3320	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cu<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu){1|N<3>,2|H<1>,6|C<3>}	123.0015	0.688	2	123.0015	0.473	2	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	122.1745	0.313	2	122.1745	0.098	2	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|I<1>,2|H<1>,6|C<3>}	121.0340	0.000	1	121.0340	0.029	3	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	120.8650	0.000	1	121.0340	0.029	3	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){2|H<1>,7|C<3>}	121.2030	0.000	1	121.0340	0.029	3	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|P<4>,2|H<1>,6|C<3>}	122.1360	2.180	3	122.2746	2.444	5	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){2|H<1>,6|C<3>}	122.4825	0.351	2	122.2746	2.444	5	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Zn<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn){1|O<2>,2|H<1>,6|C<3>}	122.5850	0.059	2	122.5850	0.004	2	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	121.0560	0.000	1	121.3340	0.155	2	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	121.6120	0.000	1	121.3340	0.155	2	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	124.5178	1.393	22	124.3565	1.743	27	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|F<1>,2|H<1>,5|C<3>}	123.7875	0.165	2	124.3565	1.743	27	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	123.5530	0.837	3	124.3565	1.743	27	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	121.5840	0.000	1	121.6660	0.013	2	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){2|Br<1>,2|H<1>,5|C<3>}	121.7480	0.000	1	121.6660	0.013	2	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|F<1>,2|H<1>,5|C<3>}	124.3070	0.885	2	124.7554	1.453	5	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){3|H<1>,5|C<3>}	125.0543	1.476	3	124.7554	1.453	5	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Fe<5>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe){1|Fe<5>,3|H<1>,5|C<3>}	122.2840	0.000	1	122.2840	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir){2|H<1>,5|C<3>}	125.9273	0.680	3	125.9273	0.463	3	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Au<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	121.4350	0.000	1	121.4350	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.2540	0.000	1	120.2540	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	122.4620	0.000	1	122.4620	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|Zn<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn){1|N<2>,3|H<1>,5|C<3>}	121.6120	0.000	1	121.6120	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|C<4>,1|H<1>,1|N<2>,1|P<4>,5|C<3>}	124.3400	0.298	2	124.2897	0.052	3	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|C<4>,1|H<1>,1|N<2>,1|P<4>,5|C<3>}	124.1890	0.000	1	124.2897	0.052	3	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	125.6444	1.248	18	125.6222	1.408	20	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	125.4225	0.445	2	125.6222	1.408	20	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|N<2>,3|H<1>,4|C<3>}	125.3030	0.000	1	125.3030	0.000	1	124.0179	3.398	84	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:P[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo){4|H<1>,5|C<3>}	118.5940	0.955	2	118.5940	0.911	2	118.5940	0.911	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	123.2250	0.000	1	122.7420	0.467	2	122.7420	0.467	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	122.2590	0.000	1	122.7420	0.467	2	122.7420	0.467	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|Rh<6>,1|H<1>,2|C<4>,2|N<3>,5|C<3>}	120.2110	0.000	1	120.2110	0.000	1	120.8556	0.404	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|C<3>,5|H<1>}	121.1890	0.585	4	120.9630	0.388	6	120.8556	0.404	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|O<2>,4|C<3>,5|H<1>}	120.5110	0.546	2	120.9630	0.388	6	120.8556	0.404	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,2|C<4>,5|C<3>}	120.8650	0.000	1	120.8650	0.000	1	120.8650	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	121.9890	0.000	1	121.9890	0.000	1	122.8325	1.423	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	123.6760	0.000	1	123.6760	0.000	1	122.8325	1.423	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	120.5720	0.000	1	120.5720	0.000	1	120.5720	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	121.0100	0.000	1	121.0100	0.000	1	121.0100	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ir)(C[5a]N[5a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ir)(C[5a]N[5a]2){1|H<1>,1|N<2>,5|C<3>}	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.0760	0.000	1	122.0760	0.000	1	121.1479	0.809	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.7340	0.000	1	120.7340	0.000	1	121.1479	0.809	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	122.5250	0.000	1	122.5250	0.000	1	121.1479	0.809	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2){2|O<2>,3|H<1>,3|N<3>,4|C<3>}	120.6750	0.587	4	120.6750	0.344	4	121.1479	0.809	7	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(N[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H){1|Ru<6>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	127.1070	0.000	1	127.1070	0.000	1	127.1070	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|O<2>}	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|O<2>,3|H<1>,6|C<3>}	121.3660	0.000	1	121.3660	0.000	1	120.9377	0.760	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|O<2>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	121.3775	0.008	2	120.7950	1.018	3	120.9377	0.760	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|O<2>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,8|C<3>}	119.6300	0.000	1	120.7950	1.018	3	120.9377	0.760	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|P<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,7|C<3>}	122.6040	0.000	1	122.6040	0.000	1	124.7060	3.999	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	126.5850	0.000	1	126.5850	0.000	1	124.7060	3.999	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	124.9290	0.000	1	124.9290	0.000	1	124.7060	3.999	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS){1|O<2>,2|H<1>,3|C<3>}	123.8045	0.022	2	123.8045	0.000	2	123.8045	0.000	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]N[6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]N[6]){1|Cu<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Cu){1|C<4>,4|C<3>,4|H<1>}	124.3740	0.000	1	124.3740	0.000	1	124.3740	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	121.9270	0.902	2	121.9270	0.814	2	121.9270	0.814	2	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	121.6440	0.000	1	121.6440	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO){1|H<1>,1|N<2>,3|C<3>}	124.9140	0.000	1	124.9140	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO){1|N<3>,2|C<3>,2|H<1>}	125.3780	0.000	1	125.3780	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.6550	0.000	1	124.6550	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	122.9270	0.000	1	122.9270	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){2|Co<5>,1|C<4>,1|H<1>,2|C<3>}	122.2750	0.000	1	122.2750	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	125.0520	0.000	1	125.0520	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO){2|C<3>,3|C<4>,4|H<1>}	122.3090	0.000	1	122.3090	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	122.6170	0.000	1	122.6170	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	123.2760	0.371	2	123.2760	0.137	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	122.3850	0.000	1	122.3850	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	122.5640	0.000	1	122.5000	0.008	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|H<1>,1|O<2>,4|C<3>}	122.4360	0.000	1	122.5000	0.008	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2){2|H<1>,3|C<3>}	123.2100	0.000	1	123.2100	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	122.0090	0.000	1	122.0090	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|Si<4>,1|H<1>,3|C<3>}	123.7700	0.000	1	123.6309	0.261	63	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	123.6949	0.367	60	123.6309	0.261	63	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|H<1>,1|O<1>,3|C<3>}	121.6430	0.262	2	123.6309	0.261	63	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	123.2610	0.000	1	123.2610	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO){1|H<1>,5|C<3>}	123.8780	0.000	1	123.8780	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	123.0470	0.000	1	123.0470	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.6050	0.000	1	121.3865	2.969	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){2|H<1>,3|C<3>}	120.1680	0.000	1	121.3865	2.969	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CNO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CNO){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	125.5260	0.290	2	125.5260	0.084	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC){2|H<1>,3|C<3>}	122.7290	0.000	1	122.7290	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	124.2570	0.000	1	124.2570	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O){1|H<1>,3|C<3>}	124.1280	0.388	4	124.1280	0.150	4	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,1|H<1>,3|C<3>}	120.5690	0.000	1	120.5690	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.1440	0.000	1	125.1440	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.8720	0.000	1	124.8720	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|N<3>,3|C<3>}	123.0450	0.188	2	123.0450	0.035	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	122.7916	0.189	7	122.7916	0.036	7	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C){1|N<3>,2|C<3>,2|H<1>}	123.0200	0.000	1	123.0200	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2){1|N<3>,2|C<3>,2|H<1>}	123.5587	0.302	3	123.5587	0.091	3	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN){1|N<3>,2|C<3>,2|H<1>}	124.3285	0.381	10	124.3285	0.145	10	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	122.1720	0.000	1	122.1720	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.9470	0.000	1	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	123.7200	0.000	1	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.0870	0.000	1	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	124.9960	0.054	2	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	123.5075	0.207	2	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	123.7380	0.058	2	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	125.0920	0.000	1	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Os<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	123.0265	0.145	2	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	123.7820	0.000	1	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	123.8530	0.460	3	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	123.4377	0.214	3	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	125.4380	0.526	6	124.2666	0.847	25	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.7530	0.000	1	124.7530	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	123.9350	0.000	1	123.9350	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	124.7940	0.000	1	124.7940	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|O<2>,2|C<3>,3|H<1>}	122.9130	0.000	1	122.9130	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	125.6470	0.279	2	125.6470	0.078	2	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH){1|Se<2>,1|H<1>,3|C<3>}	119.7840	0.000	1	119.7840	0.000	1	123.6867	0.986	151	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H){2|H<1>,3|N<3>,4|C<3>}	124.0410	0.000	1	124.0410	0.000	1	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	123.8390	0.000	1	123.8390	0.000	1	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O){2|H<1>,7|C<3>}	122.8000	0.000	1	122.8000	0.000	1	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	122.3105	0.076	2	122.3105	0.006	2	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	123.0018	0.860	4	123.1148	0.732	8	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	123.2278	0.967	4	123.1148	0.732	8	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.8140	0.157	2	121.8140	0.025	2	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	123.3935	0.431	2	123.3935	0.185	2	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	125.1165	0.370	2	125.1165	0.137	2	123.2035	1.092	19	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|C<4>,2|C<3>,3|H<1>}	122.0580	0.000	1	122.0580	0.000	1	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H){1|H<1>,1|O<1>,3|C<3>}	122.7800	0.000	1	122.7800	0.000	1	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	121.6680	0.645	2	121.6680	0.416	2	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	124.5310	0.000	1	124.5310	0.000	1	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	123.3207	0.272	3	123.3310	0.050	4	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	123.3620	0.000	1	123.3310	0.050	4	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	123.8355	0.053	2	123.9410	0.035	3	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1520	0.000	1	123.9410	0.035	3	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	122.5675	0.499	2	123.1267	0.437	6	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.8490	0.307	2	123.1267	0.437	6	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	122.9635	0.344	2	123.1267	0.437	6	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	122.2398	0.231	4	123.0877	1.162	7	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	124.0905	0.037	2	123.0877	1.162	7	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	124.4740	0.000	1	123.0877	1.162	7	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	126.9290	0.038	2	126.6950	0.165	3	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	126.2270	0.000	1	126.6950	0.165	3	123.5111	1.994	28	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH){1|H<1>,6|C<3>}	120.4960	0.242	2	120.4960	0.058	2	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF){1|H<1>,4|C<3>}	123.1210	0.000	1	123.1210	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CNO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CNO){2|H<1>,3|C<3>}	124.5260	0.016	2	124.5260	0.000	2	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(COO){2|H<1>,3|C<3>}	124.9620	0.000	1	124.9620	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(COO){2|H<1>,3|C<3>}	124.2590	0.369	2	124.2590	0.136	2	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Fe<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(COO){2|H<1>,3|C<3>}	124.7280	0.000	1	124.7280	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.4120	0.000	1	121.4120	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(COO){2|H<1>,3|C<3>}	124.9590	0.000	1	124.9590	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH){2|H<1>,3|C<3>}	122.0060	0.000	1	122.0060	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(COO){2|H<1>,3|C<3>}	125.0390	0.000	1	125.0390	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CNO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CNO){2|H<1>,3|C<3>}	123.1670	0.325	2	123.1670	0.106	2	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Re)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Re)(COO){2|H<1>,3|C<3>}	123.6510	0.000	1	123.6510	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Tc)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Tc<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Tc)(COO){2|H<1>,3|C<3>}	124.2115	0.036	2	124.2115	0.001	2	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	120.3780	0.000	1	120.3780	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	121.2990	0.000	1	121.2990	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.6040	0.000	1	123.6040	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	123.6270	0.000	1	123.6270	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.9857	0.585	3	123.9857	0.342	3	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	123.5460	0.000	1	123.5460	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2730	0.000	1	120.2730	0.000	1	123.2549	2.406	27	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Fe<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H){2|H<1>,3|C<3>}	123.7640	0.000	1	123.7640	0.000	1	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	121.5710	0.000	1	121.5302	0.003	4	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	121.5790	0.000	1	121.5302	0.003	4	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	121.4855	0.009	2	121.5302	0.003	4	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	121.4855	0.186	2	121.4855	0.035	2	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	121.6215	1.176	2	121.6215	1.383	2	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2){2|H<1>,3|C<3>}	121.7500	0.000	1	121.7500	0.000	1	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	122.5220	1.217	3	123.1837	1.155	6	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	123.8453	0.306	3	123.1837	1.155	6	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){1|H<1>,3|C<3>}	123.6540	0.000	1	123.2845	0.273	2	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){2|H<1>,3|C<3>}	122.9150	0.000	1	123.2845	0.273	2	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	122.5080	0.000	1	122.6707	0.020	3	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	122.7520	0.023	2	122.6707	0.020	3	122.4539	1.056	21	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	121.0825	0.297	4	121.0825	0.088	4	121.0825	0.088	4	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|C<3>,1|O<1>,1|S<1>,2|N<3>}	120.9740	0.000	2	120.9740	0.000	2	121.1553	0.099	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|N<2>,1|O<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|N<2>,1|O<1>,3|N<3>}	121.5180	0.000	1	121.5180	0.000	1	121.1553	0.099	3	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	125.6770	0.000	1	125.6770	0.000	1	125.6770	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	125.9810	0.000	1	125.9810	0.000	1	125.9810	0.000	1	123.1093	2.440	1027	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	129.0840	0.000	1	129.0840	0.000	1	128.0745	2.038	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3){1|H<1>,1|N<3>,5|C<3>}	127.0650	0.000	1	127.0650	0.000	1	128.0745	2.038	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	129.0585	0.535	2	129.0585	0.287	2	129.0585	0.287	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.3450	0.000	1	123.3450	0.000	1	124.3705	2.103	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	125.3960	0.000	1	125.3960	0.000	1	124.3705	2.103	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]C)(H){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3){1|H<1>,3|C<3>}	119.0270	0.000	1	119.0270	0.000	1	122.2440	20.698	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	125.4610	0.000	1	125.4610	0.000	1	122.2440	20.698	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:Si-4:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|B<6>,1|F<1>,2|C<3>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	119.4070	0.000	1	119.0858	0.188	4	119.0858	0.188	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:Si-4:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|B<6>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	119.2420	0.105	2	119.0858	0.188	4	119.0858	0.188	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:Si-4:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|B<6>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	118.4520	0.000	1	119.0858	0.188	4	119.0858	0.188	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){2|H<1>,4|C<4>,6|C<3>}	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	125.5770	0.000	1	125.5770	0.000	1	125.5770	0.000	1	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(SiC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(SiC3){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	121.9065	0.344	2	121.9065	0.119	2	121.9065	0.119	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	122.1360	0.095	2	122.1360	0.009	2	122.0623	0.244	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|N<3>,2|H<1>,4|C<3>}	121.9885	0.838	2	121.9885	0.702	2	122.0623	0.244	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H){1|O<2>,3|H<1>,8|C<3>}	124.5898	2.708	4	124.5898	7.332	4	124.5898	7.332	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H){5|H<1>,6|C<3>}	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ti<9>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	121.4145	0.165	2	121.4145	0.027	2	121.3563	0.024	3	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP){2|H<1>,6|C<3>}	121.2400	0.000	1	121.2400	0.000	1	121.3563	0.024	3	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|F<1>,1|O<1>,3|C<3>}	125.5245	0.343	2	125.5245	0.118	2	125.5245	0.118	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3){1|H<1>,4|C<3>}	125.4930	0.000	1	125.4930	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.6080	0.000	1	120.6080	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cd<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.4977	0.442	4	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Co<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	125.1188	0.414	4	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<10>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	125.6420	0.000	1	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	124.8900	0.187	2	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	123.8335	0.573	4	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	124.2027	0.333	6	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.7140	0.064	2	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Fe<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	125.0585	1.619	8	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Mn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.9113	0.891	12	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	124.4650	0.866	52	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Re<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	124.0008	0.752	6	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Zn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.1795	1.019	2	124.3477	0.901	103	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.1475	0.097	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	125.2355	0.276	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.9950	0.065	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	123.4150	0.692	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.8285	0.501	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.4130	0.341	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	124.5290	0.069	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	128.3120	0.000	1	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	124.3877	0.388	3	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.3520	0.221	2	124.1653	1.428	20	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	124.9510	0.075	2	124.9510	0.006	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	124.7530	0.000	1	124.7530	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.4840	0.000	1	122.4840	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,3|C<3>}	120.8547	0.899	4	120.8547	0.809	4	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	124.0160	0.000	1	124.0160	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.1410	0.000	1	122.1410	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.1220	0.000	1	121.1220	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3){1|C<4>,2|C<3>,3|H<1>}	124.0885	0.209	2	124.0885	0.044	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	122.7450	0.352	2	122.7450	0.124	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	122.6020	0.164	2	122.6020	0.027	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	123.5160	0.000	1	123.5160	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	121.9220	0.000	1	122.8065	1.565	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	123.6910	0.000	1	122.8065	1.565	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH){1|H<1>,5|C<3>}	122.3550	0.000	1	122.3550	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	122.6380	0.024	2	122.5897	0.007	3	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	122.4930	0.000	1	122.5897	0.007	3	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,4|C<3>}	122.2930	0.000	1	122.2930	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	124.5540	0.000	1	124.5540	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	124.5510	0.000	1	124.5510	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	120.3960	0.000	1	120.3960	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	121.0480	0.000	1	121.0480	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.9100	0.000	1	122.9100	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	122.5770	0.000	1	122.5770	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,3|H<1>}	122.0530	0.000	1	122.4353	0.443	6	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.1760	0.000	1	122.4353	0.443	6	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9165	0.084	2	122.4353	0.443	6	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4230	0.000	1	122.4353	0.443	6	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.1270	0.000	1	122.4353	0.443	6	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.0470	0.000	1	124.0470	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.4750	0.000	1	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.5114	0.769	8	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.2110	0.000	1	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	123.0250	0.000	1	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Os<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	119.9580	0.000	1	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	121.7730	0.477	2	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	122.9990	0.000	1	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1360	0.000	1	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.4583	0.278	6	123.0996	1.666	22	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO){1|N<3>,2|C<3>,2|H<1>}	123.3620	0.000	1	123.3620	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.8183	0.444	3	123.9663	0.219	4	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|N<3>,2|C<3>,2|H<1>}	124.4100	0.000	1	123.9663	0.219	4	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.4380	0.000	1	121.4200	0.001	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.4020	0.000	1	121.4200	0.001	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	123.1170	0.000	1	123.1170	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	123.5093	0.188	3	123.5093	0.035	3	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	123.9760	0.000	1	123.9760	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.0380	0.000	1	123.0380	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	123.4720	0.000	1	123.4720	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	124.0150	0.000	1	124.0150	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	124.0950	0.000	1	124.0950	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	125.8580	0.000	1	125.7940	0.015	4	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	125.6985	0.074	2	125.7940	0.015	4	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	125.9210	0.000	1	125.7940	0.015	4	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.9405	0.127	2	122.9405	0.016	2	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	123.0850	0.000	1	123.0850	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	123.4490	0.000	1	123.4490	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	124.5920	0.000	1	124.5920	0.000	1	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.5765	0.080	4	124.5765	0.006	4	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.1584	0.480	10	124.1584	0.230	10	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	124.2090	0.000	1	124.7847	0.388	3	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	124.6990	0.000	1	124.7847	0.388	3	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	125.4460	0.000	1	124.7847	0.388	3	123.8639	1.588	227	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO){1|O<3>,2|H<1>,6|C<3>}	122.3605	0.842	6	122.2129	1.821	40	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<13>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO){1|O<3>,2|H<1>,6|C<3>}	121.6430	2.269	10	122.2129	1.821	40	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<14>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO){1|O<3>,2|H<1>,6|C<3>}	122.4134	0.854	24	122.2129	1.821	40	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Eu<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO){1|O<2>,2|H<1>,6|C<3>}	122.8220	0.888	12	122.5865	0.889	18	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Eu<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO){1|O<3>,2|H<1>,6|C<3>}	122.1155	0.942	6	122.5865	0.889	18	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	121.8130	0.000	1	121.8130	0.000	1	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|La<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO){1|O<2>,2|H<1>,6|C<3>}	119.9830	0.022	4	121.2964	1.412	10	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|La<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO){1|O<3>,2|H<1>,6|C<3>}	122.1720	0.492	6	121.2964	1.412	10	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LuO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Lu<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LuO){1|O<3>,2|H<1>,6|C<3>}	122.4502	0.686	6	122.4502	0.470	6	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OU)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|U<13>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OU){1|O<3>,2|H<1>,6|C<3>}	122.8897	0.796	12	122.8897	0.633	12	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OY)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Y<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OY){1|O<2>,2|H<1>,6|C<3>}	122.2825	0.012	2	122.2825	0.000	2	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ti<11>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	122.9755	0.571	8	122.9289	0.305	9	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ti<9>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO){1|Ti<9>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	122.5560	0.000	1	122.9289	0.305	9	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]YbO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Yb<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]YbO){1|O<2>,2|H<1>,6|C<3>}	121.8300	0.202	2	121.8300	0.041	2	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]ZrO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Zr<13>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]ZrO){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	122.7500	0.521	4	122.7500	0.271	4	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(C[6]C[6]PdH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(C[6]C[6]PdH){2|H<1>,6|C<3>}	123.4270	0.697	2	123.4270	0.486	2	122.3742	1.287	106	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:In-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]In)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(InI3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]In){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|In<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(InI3){1|H<1>,3|C<3>}	122.4700	0.000	1	122.4700	0.000	1	122.4700	0.000	1	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	124.2370	0.000	1	124.2370	0.000	1	123.6025	0.805	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3){1|C<4>,1|H<1>,2|C<3>}	122.9680	0.000	1	122.9680	0.000	1	123.6025	0.805	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	126.3730	0.000	1	126.3730	0.000	1	125.2890	2.350	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	124.2050	0.000	1	124.2050	0.000	1	125.2890	2.350	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[4,6]C[6a])(SiC3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[4,6]C[6a])(SiC3){1|H<1>,1|P<4>,6|C<3>}	122.3560	0.000	1	122.3560	0.000	1	121.1532	0.719	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]C[6a])(SiC3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]C[6a])(SiC3){1|H<1>,1|N<3>,6|C<3>}	120.7350	0.000	1	120.7350	0.000	1	121.1532	0.719	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SiC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SiC3){1|H<1>,2|C<4>,3|C<3>}	120.7610	0.478	2	120.7610	0.228	2	121.1532	0.719	4	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	120.6240	0.000	1	120.6240	0.000	1	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3){1|H<1>,4|C<3>}	121.2415	0.108	4	121.2415	0.012	4	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN){1|H<1>,4|C<3>}	121.8035	0.365	4	121.8035	0.133	4	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cd<7>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN){2|H<1>,3|C<3>}	123.0977	0.307	15	123.0977	0.094	15	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN){2|H<1>,3|C<3>}	122.5830	0.000	1	122.5830	0.000	1	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN){2|H<1>,3|C<3>}	122.8023	0.538	4	122.6664	0.274	7	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<7>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN){2|H<1>,3|C<3>}	122.4853	0.549	3	122.6664	0.274	7	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	120.2890	0.141	2	121.0223	0.344	6	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	121.4355	0.173	2	121.0223	0.344	6	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	121.3425	0.221	2	121.0223	0.344	6	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN){2|H<1>,3|C<3>}	123.1230	0.518	13	123.0585	0.279	15	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN){2|H<1>,3|C<3>}	122.6390	0.536	2	123.0585	0.279	15	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3){2|H<1>,5|C<3>}	120.0510	0.000	1	120.0510	0.000	1	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<6>,1|H<1>,3|C<3>}	121.2840	0.000	1	122.4373	1.103	4	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<4>,1|H<1>,3|C<3>}	121.9830	0.000	1	122.4373	1.103	4	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<6>,1|H<1>,3|C<3>}	123.2410	0.693	2	122.4373	1.103	4	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	120.1730	0.000	1	120.1730	0.000	1	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH){2|H<1>,3|C<3>}	121.8520	0.000	1	121.8520	0.000	1	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH){2|H<1>,3|C<3>}	122.8897	0.384	4	122.8897	0.148	4	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH){2|H<1>,3|C<3>}	121.6690	0.000	1	121.6690	0.000	1	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	122.7800	0.000	1	122.7800	0.000	1	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	121.8580	0.000	1	121.7955	0.008	2	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	121.7330	0.000	1	121.7955	0.008	2	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3){1|H<1>,2|O<2>,3|C<3>}	122.4657	0.381	4	122.4657	0.145	4	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Si<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>,3|O<2>}	121.0835	1.066	2	121.0835	1.136	2	122.3781	0.913	74	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|C<6>,1|H<1>,2|C<3>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	120.7750	0.000	1	120.7750	0.000	1	120.9820	0.086	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,1|H<1>,2|C<3>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	121.1890	0.000	1	121.1890	0.000	1	120.9820	0.086	2	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.4320	0.000	1	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.6100	0.475	2	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.2565	1.397	2	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.3750	0.000	1	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.9290	0.000	1	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|N<3>,1|W<9>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.4230	0.000	1	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.8290	0.188	2	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Te<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	120.7805	1.281	2	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	121.2065	0.271	2	121.0374	0.500	14	121.0374	0.500	14	123.1268	2.549	463	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	B[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]B[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]B[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|C<3>,3|H<1>}	123.8320	0.000	1	123.8320	0.000	1	123.8320	0.000	1	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	123.7920	0.328	2	123.7920	0.108	2	123.7920	0.108	2	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.7530	0.000	1	118.7530	0.000	1	118.7530	0.000	1	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3320	0.000	1	120.3320	0.000	1	120.1255	0.085	2	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	119.9190	0.000	1	119.9190	0.000	1	120.1255	0.085	2	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|H<1>,1|O<1>,7|C<3>}	118.9315	0.127	2	118.9315	0.016	2	118.9315	0.016	2	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O){1|H<1>,1|O<1>,3|C<3>}	118.4510	0.000	1	118.4510	0.000	1	119.1520	0.397	3	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O){1|H<1>,1|O<1>,3|C<3>}	119.5025	0.237	2	119.5025	0.056	2	119.1520	0.397	3	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	118.3090	0.333	3	118.3090	0.111	3	119.1404	0.906	11	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	119.4870	0.721	3	119.5203	0.351	4	119.1404	0.906	11	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){2|H<1>,5|C<3>}	119.6200	0.000	1	119.5203	0.351	4	119.1404	0.906	11	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	118.0790	0.000	1	118.4420	0.264	2	119.1404	0.906	11	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	118.8050	0.000	1	118.4420	0.264	2	119.1404	0.906	11	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){2|C<3>,2|C<4>,4|H<1>}	119.5890	0.000	1	119.5890	0.000	1	119.1404	0.906	11	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){1|O<2>,3|H<1>,4|C<3>}	121.0630	0.000	1	121.0630	0.000	1	119.1404	0.906	11	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C[6])(O){2|C<3>,5|C<4>,5|H<1>}	119.1860	0.000	1	119.1860	0.000	1	119.4946	0.692	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|C<4>,3|H<1>,5|C<3>}	119.7175	0.975	2	119.7175	0.951	2	119.4946	0.692	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(O){2|C<3>,5|C<4>,5|H<1>}	119.5030	0.000	1	119.5030	0.000	1	119.4946	0.692	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O){2|C<4>,2|H<1>,5|C<3>}	118.0340	0.000	1	118.0340	0.000	1	119.4946	0.692	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.1520	0.099	2	120.1520	0.010	2	119.4946	0.692	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.2190	0.000	1	121.2190	0.000	1	120.1178	0.926	24	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,1|H<1>,5|C<3>}	118.7027	0.734	3	118.8363	0.256	6	120.1178	0.926	24	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,2|H<1>,4|C<3>}	118.9700	0.219	3	118.8363	0.256	6	120.1178	0.926	24	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.6748	0.462	13	120.5052	0.401	17	120.1178	0.926	24	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.9540	0.866	4	120.5052	0.401	17	120.1178	0.926	24	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	121.2050	0.000	1	121.2050	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O){1|H<1>,2|O<1>,6|C<3>}	117.2090	0.000	1	117.2090	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	118.0610	0.000	1	118.0610	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){3|H<1>,5|C<3>}	119.2130	0.000	1	118.7026	0.794	5	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<3>,3|C<4>,4|H<1>}	117.7355	0.084	2	118.7026	0.794	5	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<4>,3|C<3>,3|H<1>}	119.4145	0.161	2	118.7026	0.794	5	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){3|C<3>,3|C<4>,3|H<1>}	119.5340	0.000	1	119.3375	0.229	4	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.8400	0.000	1	119.3375	0.229	4	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.0670	0.000	1	119.3375	0.229	4	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,3|C<4>,4|H<1>}	119.9090	0.000	1	119.3375	0.229	4	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	119.2890	0.000	1	118.6859	0.482	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){3|H<1>,7|C<3>}	119.4580	0.072	2	118.6859	0.482	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	117.8870	0.000	1	118.6859	0.482	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<2>,1|S<2>,4|C<3>,4|H<1>}	118.3310	0.182	2	118.6859	0.482	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	118.0470	0.000	1	118.6859	0.482	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	119.4060	0.000	1	118.8058	0.345	4	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	118.8210	0.000	1	118.8058	0.345	4	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	118.4980	0.697	2	118.8058	0.345	4	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,4|C<3>,4|H<1>}	118.1470	0.000	1	118.7803	0.649	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	119.6900	0.000	1	118.7803	0.649	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	119.3190	0.000	1	118.7803	0.649	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	117.9390	0.000	1	118.7803	0.649	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	118.7475	1.286	2	118.7803	0.649	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){4|H<1>,5|C<3>}	118.8720	0.000	1	118.7803	0.649	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	120.0830	0.000	1	120.0830	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	119.1260	0.000	1	119.1260	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	117.4570	0.000	1	117.3765	0.013	2	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	117.2960	0.000	1	117.3765	0.013	2	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	119.0890	0.000	1	118.9580	0.034	2	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	118.8270	0.000	1	118.9580	0.034	2	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O){1|H<1>,3|C<3>,3|C<4>}	120.6550	0.000	1	120.6550	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.5695	0.081	2	120.5695	0.007	2	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	118.8510	0.000	1	118.8510	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){2|N<3>,2|O<2>,3|H<1>,5|C<3>}	120.3600	0.000	1	120.3600	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.0120	0.000	1	120.0120	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	121.2205	0.018	2	121.0750	0.064	3	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.7840	0.000	1	121.0750	0.064	3	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O){1|O<2>,2|H<1>,4|C<3>}	121.4070	0.000	1	121.4070	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	121.0878	0.471	5	121.0308	0.197	6	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	120.7460	0.000	1	121.0308	0.197	6	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	120.8120	0.000	1	120.8120	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	121.0865	0.142	2	121.1481	0.022	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	120.9560	0.000	1	121.1481	0.022	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	121.1943	0.124	3	121.1481	0.022	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	121.3250	0.000	1	121.1481	0.022	7	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	119.9225	0.206	2	119.9225	0.042	2	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<2>,1|S<2>,5|C<3>,5|H<1>}	117.9320	0.000	1	117.9320	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.9850	0.000	1	122.9850	0.000	1	119.6585	1.763	64	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Fe<11>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(H){2|C<4>,2|H<1>,3|C<3>}	122.2375	0.333	2	122.2375	0.111	2	120.4585	4.630	4	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	118.6795	1.059	2	118.6795	1.121	2	120.4585	4.630	4	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,4|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	117.9760	0.000	1	117.9760	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	118.3045	0.340	2	118.3045	0.116	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O){1|C<4>,3|H<1>,5|C<3>}	117.5140	0.000	1	117.5140	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.7350	0.000	1	119.4635	0.147	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){2|C<4>,2|H<1>,4|C<3>}	119.1920	0.000	1	119.4635	0.147	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	118.5350	0.000	1	118.6450	0.024	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	118.7550	0.000	1	118.6450	0.024	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	118.5750	0.000	1	118.5750	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.2953	0.512	3	119.2953	0.262	3	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	118.9050	0.014	2	119.1896	0.215	14	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	119.4422	0.356	6	119.1896	0.215	14	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<4>,4|C<3>}	119.3790	0.000	1	119.1896	0.215	14	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	119.2355	0.988	2	119.1896	0.215	14	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|C<4>,4|H<1>}	118.5230	0.000	1	119.1896	0.215	14	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	118.9090	0.000	2	119.1896	0.215	14	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.2715	0.428	2	119.2715	0.183	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|H<1>,5|C<3>}	118.6640	0.000	1	118.6640	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	119.9923	0.467	3	119.9923	0.218	3	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O){1|H<1>,2|C<4>,4|C<3>}	119.0330	0.000	2	119.0330	0.000	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,4|C<3>,4|H<1>}	120.0930	0.000	1	119.1210	0.823	3	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.2970	0.000	1	119.1210	0.823	3	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){2|C<4>,3|C<3>,5|H<1>}	118.9730	0.000	1	119.1210	0.823	3	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	118.5170	0.000	1	118.6528	0.317	6	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	119.3425	0.305	2	118.6528	0.317	6	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|N<3>,1|S<1>,2|C<4>,3|C<3>,4|H<1>}	118.1820	0.000	1	118.6528	0.317	6	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	118.2665	0.039	2	118.6528	0.317	6	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){2|C<4>,4|H<1>,5|C<3>}	115.7870	0.000	1	115.7870	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|H<1>,2|C<4>,5|C<3>}	116.0260	0.000	1	116.0260	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	118.3510	0.000	1	118.3510	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	117.7970	0.000	1	117.7970	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	118.6770	0.000	2	118.6770	0.000	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.3973	1.060	3	120.4303	0.753	4	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.5290	0.000	1	120.4303	0.753	4	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.0800	0.000	1	120.0800	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.3090	0.448	2	119.3090	0.201	2	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	121.6580	0.000	1	121.6580	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	121.8580	0.000	1	121.8580	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]F)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.1850	0.000	1	121.1850	0.000	1	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.7480	0.356	2	120.6781	0.087	8	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.7034	0.317	5	120.6781	0.087	8	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.4120	0.000	1	120.6781	0.087	8	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.1020	0.000	1	120.1792	0.197	4	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.2050	0.540	3	120.1792	0.197	4	119.3597	1.295	71	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	119.5140	0.000	1	119.5140	0.000	1	118.3757	0.973	3	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.8065	0.046	2	117.8065	0.002	2	118.3757	0.973	3	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	117.1120	0.000	1	117.1120	0.000	1	118.5710	1.872	3	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	119.8250	0.000	1	119.3005	0.550	2	118.5710	1.872	3	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	118.7760	0.000	1	119.3005	0.550	2	118.5710	1.872	3	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,2|N<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	119.7576	0.140	5	119.7576	0.020	5	119.7576	0.020	5	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.7855	0.202	2	120.7855	0.041	2	120.6180	0.429	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|N<2>,2|O<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	119.2450	0.000	1	119.2450	0.000	1	120.6180	0.429	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<3>,1|N<2>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.5955	0.026	2	120.8775	0.109	4	120.6180	0.429	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|N<2>,2|O<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	121.1595	0.083	2	120.8775	0.109	4	120.6180	0.429	7	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	120.0780	0.000	1	120.0780	0.000	1	121.2843	2.389	4	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Au2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Au<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Au2)(H){2|H<1>,3|C<3>}	120.6610	0.000	1	120.6610	0.000	1	121.2843	2.389	4	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RhH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RhH)(H){1|H<1>,4|C<3>}	120.8480	0.000	1	120.8480	0.000	1	121.2843	2.389	4	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H){1|H<1>,2|O<2>,3|C<3>}	123.5500	0.000	1	123.5500	0.000	1	121.2843	2.389	4	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	118.9325	0.062	2	118.9325	0.004	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O){1|H<1>,2|C<4>,3|C<3>}	119.5970	0.000	1	119.5970	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	118.3140	0.000	1	118.3140	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6260	0.000	1	118.6260	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	117.8410	0.000	1	117.8410	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8180	0.000	1	119.8180	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	119.2530	0.428	4	119.2530	0.183	4	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2173	0.507	4	121.2173	0.257	4	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	117.8370	0.000	1	118.3370	0.500	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	118.8370	0.000	1	118.3370	0.500	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	118.5660	0.000	1	118.2810	0.162	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.9960	0.000	1	118.2810	0.162	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O){1|C<4>,1|H<1>,4|C<3>}	119.6120	0.000	2	119.6120	0.000	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	118.6800	0.000	1	118.6800	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	119.0230	0.231	2	119.0230	0.053	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O){1|H<1>,2|O<2>,3|C<3>}	117.9170	0.000	1	117.9170	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O){1|H<1>,8|C<3>}	118.5980	0.000	1	118.5980	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	119.1483	0.497	4	119.1483	0.247	4	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O){1|H<1>,1|S<2>,5|C<3>}	118.4470	0.000	1	118.4470	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O){1|H<1>,6|C<3>}	118.0670	0.000	1	118.0670	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	117.3760	0.000	1	117.3760	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|H<1>,3|C<3>}	117.4360	0.000	1	117.4360	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){1|C<4>,2|C<3>,3|H<1>}	117.5360	0.000	1	117.5360	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O){1|C<4>,2|C<3>,3|H<1>}	119.0610	0.000	1	119.0610	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,2|C<4>,3|C<3>}	118.4560	0.000	1	118.4560	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	118.5920	0.000	1	118.5920	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	117.1440	0.000	1	117.1440	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){1|C<4>,2|C<3>,3|H<1>}	116.6180	0.000	1	116.6180	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	119.6380	0.000	1	119.6380	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	120.4360	0.000	1	120.4360	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]F)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.8090	0.000	1	118.8090	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	118.8620	0.000	1	118.8620	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	119.6780	0.000	1	119.6780	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O){2|C<4>,3|C<3>,4|H<1>}	118.2960	0.000	1	118.2960	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){2|C<4>,3|C<3>,4|H<1>}	118.5683	0.376	7	118.5683	0.142	7	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	120.1210	0.000	1	118.5575	0.488	13	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,3|C<3>}	119.0340	0.000	1	118.5575	0.488	13	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	117.5935	0.859	2	118.5575	0.488	13	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	118.5242	0.281	8	118.5575	0.488	13	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){3|C<3>,3|H<1>}	118.7110	0.000	1	118.5575	0.488	13	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	118.4505	0.088	2	118.4505	0.008	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	118.6448	0.481	5	118.6448	0.231	5	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	118.5830	0.000	1	118.4160	1.120	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	117.2840	0.000	1	118.4160	1.120	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|H<1>,3|C<3>}	119.3810	0.000	1	118.4160	1.120	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<4>,3|C<3>}	119.5490	0.000	1	119.1752	0.496	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	118.6510	0.502	4	119.1752	0.496	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<4>,3|C<3>}	119.7787	0.775	3	119.1752	0.496	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|H<1>,3|C<3>}	118.2520	0.000	1	119.1752	0.496	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<3>,3|C<4>}	119.5690	0.028	2	119.1752	0.496	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	119.2230	0.000	1	119.1752	0.496	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){1|C<4>,2|C<3>,3|H<1>}	118.9060	0.223	2	118.9060	0.050	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){2|H<1>,3|C<3>}	119.8990	0.000	1	119.8990	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	119.8420	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	118.5290	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	119.3630	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	119.0540	0.382	4	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	118.6107	0.908	4	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	119.7680	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	119.2330	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	119.6075	0.795	2	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	119.8330	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	119.1807	0.468	3	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	118.2290	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	119.2870	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	119.4730	0.000	1	119.1351	0.397	22	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|C<4>,2|C<3>,3|H<1>}	119.0540	0.494	2	119.0540	0.244	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O){1|C<4>,2|C<3>,3|H<1>}	118.5505	1.104	2	118.5505	1.218	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	117.5000	0.000	1	119.4826	0.863	7	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	119.8130	0.344	6	119.4826	0.863	7	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|C<4>,3|H<1>,4|C<3>}	117.8120	0.098	2	117.8120	0.010	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	118.5705	0.012	2	118.5705	0.000	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,2|H<1>,5|C<3>}	119.6887	0.402	4	119.5152	0.272	5	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|H<1>,2|C<4>,5|C<3>}	118.8210	0.000	1	119.5152	0.272	5	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O){1|C<4>,1|H<1>,5|C<3>}	120.7345	0.401	2	120.7345	0.161	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O){1|H<1>,1|O<2>,5|C<3>}	119.8200	0.000	1	119.8200	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.4050	0.000	1	120.4050	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	120.4750	0.000	1	120.4750	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	121.0260	0.000	1	121.0260	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	117.9720	0.000	1	117.9720	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	117.3390	0.000	1	118.1563	0.589	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	118.5650	0.419	2	118.1563	0.589	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	117.3980	0.000	1	117.3980	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,4|C<3>}	119.6475	0.685	2	119.6475	0.469	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|C<4>,2|C<3>,3|H<1>}	117.4330	0.000	1	117.4330	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	118.6270	0.000	1	118.6270	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,2|C<3>,3|H<1>}	117.9250	0.000	1	117.9250	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O){2|H<1>,5|C<3>}	120.0740	0.000	1	120.0740	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	119.2350	0.000	1	119.2350	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|N<3>,3|H<1>,4|C<3>}	117.1490	0.000	1	117.1490	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	116.6230	0.000	1	116.6230	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	115.4130	0.000	1	115.4130	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	117.4170	0.006	2	117.4170	0.000	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.9110	0.000	1	117.9110	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|N<3>,2|H<1>,3|C<3>}	118.3870	0.000	1	118.3870	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	120.1080	0.000	1	120.0210	0.015	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	119.9340	0.000	1	120.0210	0.015	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.2450	0.000	1	119.4560	0.583	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.0615	0.482	2	119.4560	0.583	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.3650	0.000	1	121.3650	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	120.8800	0.000	1	120.6282	0.448	8	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	120.7813	0.558	6	120.6282	0.448	8	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	119.4580	0.000	1	120.6282	0.448	8	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){1|H<1>,1|N<2>,1|S<2>,6|C<3>}	121.1220	0.000	1	121.1220	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|N<3>,2|H<1>,5|C<3>}	118.4610	0.000	1	119.1395	0.921	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.8180	0.000	1	119.1395	0.921	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	116.5960	0.000	1	116.5960	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	117.1760	0.000	1	117.1760	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	117.5250	0.367	3	117.5250	0.135	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	120.3400	0.000	1	120.3400	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1750	0.000	1	120.1750	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){2|H<1>,2|O<2>,4|C<3>}	120.6390	0.000	1	120.6390	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8700	0.000	1	121.8700	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0010	0.000	1	122.0010	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	121.4860	0.000	1	121.4520	0.002	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4180	0.000	1	121.4520	0.002	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	121.6210	0.000	1	121.6210	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	119.2580	0.000	1	119.2580	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.4415	0.484	2	120.4415	0.235	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	120.6460	0.000	1	120.6460	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	120.4160	0.000	1	120.4160	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8140	0.000	1	121.5755	1.160	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.3370	0.000	1	121.5755	1.160	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|O<2>,2|C<3>,3|H<1>}	120.7080	0.000	1	120.7080	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4760	0.000	1	120.5211	0.157	9	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	120.7155	0.384	2	120.5211	0.157	9	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>,2|O<2>}	120.0175	0.033	2	120.5211	0.157	9	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	120.3675	0.026	2	120.5211	0.157	9	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|H<1>,3|C<3>}	121.0065	0.021	2	120.5211	0.157	9	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|O<2>,2|H<1>,3|C<3>}	121.1560	0.000	1	121.1560	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	121.3477	0.200	3	121.3838	0.427	5	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|H<1>,3|C<3>}	120.5390	0.000	1	121.3838	0.427	5	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	122.3370	0.000	1	121.3838	0.427	5	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|O<2>,2|C<3>,3|H<1>}	120.0410	0.000	1	120.6490	0.739	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|O<2>,2|C<3>,3|H<1>}	121.2570	0.000	1	120.6490	0.739	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|O<2>,2|C<3>,3|H<1>}	121.3120	0.000	1	121.3120	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6900	0.000	1	120.6900	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.4530	0.000	1	121.0441	0.274	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.4320	0.000	1	121.0441	0.274	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7350	0.240	3	121.0441	0.274	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|H<1>}	121.0065	0.825	2	121.0441	0.274	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	120.9767	0.674	4	121.0441	0.274	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.5190	0.000	1	121.0441	0.274	12	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2830	0.000	1	120.5869	0.143	10	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5747	0.168	3	120.5869	0.143	10	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|H<1>,3|C<3>}	120.4770	0.366	6	120.5869	0.143	10	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|O<2>,2|H<1>,5|C<3>}	121.0930	0.000	1	121.0930	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	119.7330	0.000	1	121.3185	1.138	4	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	121.8470	0.178	3	121.3185	1.138	4	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	121.0910	0.000	1	121.0910	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|O<2>,3|H<1>,4|C<3>}	120.2790	0.000	1	120.2790	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3265	0.583	2	120.3265	0.340	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1667	0.229	3	121.1667	0.052	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	120.5120	0.000	1	120.5120	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,3|H<1>}	120.5090	0.000	1	120.5090	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	120.2280	0.000	1	120.2280	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	118.1020	0.000	1	118.1020	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){1|S<2>,3|H<1>,4|C<3>}	117.2800	0.000	1	117.2800	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|S<4>,2|H<1>,3|C<3>}	118.5390	0.025	2	118.5390	0.001	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O){1|H<1>,1|S<4>,2|C<3>}	118.7420	0.000	1	118.7420	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.9740	0.000	1	119.1655	0.073	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|H<1>}	119.3570	0.000	1	119.1655	0.073	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|Se<3>,2|C<3>,3|H<1>}	117.2535	0.005	2	117.2535	0.000	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6240	0.175	2	120.6240	0.031	2	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	119.2880	0.000	1	119.2880	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	121.6150	0.000	1	121.6960	0.030	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	121.7365	0.223	2	121.6960	0.030	3	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.4980	0.000	1	120.4980	0.000	1	119.5032	1.723	268	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O){1|C<3>,1|C<4>,1|H<1>,5|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O){1|H<1>,2|C<3>,2|C<4>}	116.4373	0.745	8	116.4373	0.556	8	116.4373	0.556	8	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	119.8485	0.151	2	119.8485	0.023	2	119.8485	0.023	2	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	118.4660	0.000	1	118.4660	0.000	1	120.1237	0.702	6	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.3087	0.162	3	120.4552	0.054	5	120.1237	0.702	6	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.6940	0.000	1	120.4552	0.054	5	120.1237	0.702	6	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,2|C<4>,3|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.6560	0.000	1	120.4552	0.054	5	120.1237	0.702	6	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	119.5382	1.840	500	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-2:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	124.2585	0.279	2	124.2585	0.078	2	124.2585	0.078	2	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6]){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	123.7195	0.491	2	123.7195	0.242	2	123.6607	0.131	3	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[3]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	123.5430	0.000	1	123.5430	0.000	1	123.6607	0.131	3	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6]){1|O<2>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	123.7745	0.087	2	123.7745	0.008	2	123.7745	0.008	2	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO){1|C<4>,3|H<1>,5|C<3>}	121.3080	0.000	1	121.3080	0.000	1	121.3080	0.000	1	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]){3|C<3>,3|C<4>,6|H<1>}	123.0045	0.146	2	123.0045	0.021	2	123.0045	0.021	2	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	124.9080	0.000	1	124.9080	0.000	1	124.9080	0.000	1	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	124.5720	0.000	1	124.5720	0.000	1	124.5495	0.001	2	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	124.5270	0.000	1	124.5270	0.000	1	124.5495	0.001	2	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC){1|C<4>,1|H<1>,4|C<3>}	121.4190	0.000	1	121.4190	0.000	1	121.5637	0.061	4	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.3990	0.000	1	121.4550	0.006	2	121.5637	0.061	4	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.5110	0.000	1	121.4550	0.006	2	121.5637	0.061	4	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6]){1|C<4>,1|H<1>,2|C<3>}	121.9260	0.000	1	121.9260	0.000	1	121.5637	0.061	4	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN){1|C<4>,2|C<3>,3|H<1>}	120.6640	0.000	1	120.6640	0.000	1	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	119.5957	0.408	4	119.5957	0.167	4	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO){1|C<4>,2|C<3>,3|H<1>}	122.4440	0.328	2	122.4440	0.108	2	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	120.6615	0.237	8	120.6720	0.050	9	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	120.7560	0.000	1	120.6720	0.050	9	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5]){1|H<1>,2|C<3>,3|C<4>}	120.3380	0.000	1	120.3380	0.000	1	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|C<4>,2|C<3>,3|H<1>}	121.7920	0.000	1	121.7920	0.000	1	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|O<2>,2|S<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO){1|C<4>,1|H<1>,2|C<3>}	121.1910	0.000	1	121.1910	0.000	1	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	118.9413	0.469	7	118.9413	0.220	7	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	122.2010	0.000	1	122.2010	0.000	1	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,3|H<1>}	120.7555	0.022	2	120.7555	0.000	2	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	119.2552	0.422	6	119.2552	0.178	6	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	119.3750	0.565	5	119.3750	0.320	5	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|O<2>,2|H<1>,3|C<3>}	122.9310	0.251	3	122.9310	0.063	3	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8240	0.000	1	121.8240	0.000	1	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<2>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|H<1>,1|S<4>,2|C<3>}	121.9740	0.000	1	120.4458	0.482	13	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.0575	0.070	2	120.4458	0.482	13	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|S<4>,2|C<3>,2|H<1>}	120.1707	0.464	10	120.4458	0.482	13	120.3232	1.377	57	120.9872	2.897	74	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:B[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]B[6]C)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]B[6]C){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH){1|H<1>,8|C<3>}	120.5515	0.316	2	120.5515	0.100	2	120.5515	0.100	2	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.7480	0.445	2	122.5967	0.168	3	122.5967	0.168	3	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.2940	0.000	1	122.5967	0.168	3	122.5967	0.168	3	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.5970	0.000	1	122.5970	0.000	1	123.5396	0.507	15	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	122.0560	0.000	1	122.0560	0.000	1	123.5396	0.507	15	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.9430	0.314	10	123.9430	0.098	10	123.5396	0.507	15	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	123.0140	0.000	1	123.0140	0.000	1	123.5396	0.507	15	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	123.5600	0.000	1	123.5600	0.000	1	123.5396	0.507	15	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	122.4370	0.000	1	122.4370	0.000	1	123.5396	0.507	15	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	122.9180	0.000	1	122.9180	0.000	1	122.0990	1.342	2	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	121.2800	0.000	1	121.2800	0.000	1	122.0990	1.342	2	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	121.9760	0.000	1	121.9840	0.125	3	121.9840	0.125	3	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|O<2>,5|C<3>,5|H<1>}	121.9880	0.499	2	121.9840	0.125	3	121.9840	0.125	3	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	123.5920	0.000	1	124.0847	0.631	9	123.9977	0.474	16	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	124.5500	0.000	1	124.0847	0.631	9	123.9977	0.474	16	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	123.3393	0.523	3	124.0847	0.631	9	123.9977	0.474	16	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.7680	0.000	1	124.0847	0.631	9	123.9977	0.474	16	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	124.6113	0.735	3	124.0847	0.631	9	123.9977	0.474	16	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	122.9110	0.000	1	123.8859	0.317	7	123.9977	0.474	16	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	124.0483	0.399	6	123.8859	0.317	7	123.9977	0.474	16	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	121.4600	0.000	1	121.4600	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I){1|H<1>,1|N<3>,5|C<3>}	123.4490	0.000	1	123.4490	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH){1|H<1>,6|C<3>}	122.7900	0.881	2	122.7900	0.776	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.8750	0.140	2	119.8750	0.020	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	122.2080	0.000	1	122.2080	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|F<1>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F){3|C<3>,3|H<1>}	121.5710	0.000	1	121.5710	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H){1|C<4>,1|H<1>,4|C<3>}	121.7600	0.000	1	121.7600	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N){3|C<3>,3|H<1>}	122.1460	0.000	1	122.1460	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	122.4310	0.000	1	121.5326	0.275	8	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	121.4043	0.408	7	121.5326	0.275	8	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH){1|C<4>,2|C<3>,3|H<1>}	122.2010	0.000	1	122.2010	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	124.0580	0.000	1	124.0580	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.5510	0.107	3	121.5510	0.012	3	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	122.0590	0.000	1	122.0590	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	122.1460	0.000	1	122.1260	0.001	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|H<1>,2|C<4>,3|C<3>}	122.1060	0.000	1	122.1260	0.001	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C){1|C<4>,2|C<3>,3|H<1>}	121.5270	0.338	2	121.5270	0.114	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,4|C<3>}	121.9070	0.000	1	121.4730	0.377	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	121.0390	0.000	1	121.4730	0.377	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]Pd){1|C<4>,2|C<3>,3|H<1>}	121.2670	0.000	1	121.2670	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	121.1930	0.000	1	121.1930	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,1|V<7>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN){2|H<1>,3|C<3>}	123.9590	0.000	1	123.6052	0.231	6	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,1|V<9>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN){2|H<1>,3|C<3>}	123.8820	0.000	1	123.6052	0.231	6	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|V<10>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN){2|H<1>,3|C<3>}	123.4475	0.534	4	123.6052	0.231	6	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|H<1>,1|O<1>,5|C<3>}	121.7880	0.000	1	121.7880	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H){1|H<1>,5|C<3>}	122.9630	0.000	1	122.9630	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH){2|H<1>,3|C<3>}	122.6887	0.212	3	122.6887	0.045	3	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2){1|C<4>,1|H<1>,3|C<3>}	123.1000	0.000	1	123.1000	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	122.5140	0.000	1	122.5140	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H){1|H<1>,3|C<3>}	122.4350	0.000	1	122.4350	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH){1|C<4>,1|H<1>,2|C<3>}	123.5170	0.000	1	123.5170	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<4>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH){1|C<4>,2|C<3>,3|H<1>}	120.2340	0.000	1	120.2340	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH){1|H<1>,3|C<3>}	122.4070	0.000	1	122.4070	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH){1|N<3>,3|H<1>,4|C<3>}	121.0600	0.000	1	121.0600	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	124.0290	0.000	1	123.8040	0.101	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.5790	0.000	1	123.8040	0.101	2	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|N<3>,2|H<1>,3|C<3>}	121.3730	0.000	1	121.3730	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	126.2610	0.000	1	126.2610	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCC){1|S<2>,3|H<1>,5|C<3>}	123.6970	0.000	1	123.6970	0.000	1	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|S<2>,2|C<3>,3|H<1>}	121.3713	0.342	4	121.3713	0.117	4	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.1635	0.761	4	122.1635	0.578	4	122.2010	1.316	63	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	124.1080	0.000	1	123.3440	1.167	2	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	122.5800	0.000	1	123.3440	1.167	2	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|I<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	124.2300	0.000	1	124.2300	0.000	1	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O){1|S<4>,2|H<1>,5|C<3>}	123.6210	0.000	1	123.6210	0.000	1	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	121.7200	0.000	1	121.7200	0.000	1	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	125.1020	0.000	1	123.8580	3.095	2	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	122.6140	0.000	1	123.8580	3.095	2	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C){1|O<1>,2|S<2>,3|C<3>,5|H<1>}	122.0680	0.000	1	122.0680	0.000	1	123.2554	1.408	8	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al){1|H<1>,4|C<3>}	122.9270	0.000	1	122.9270	0.000	1	122.1652	0.283	5	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NNiN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NNiN){1|C<4>,2|C<3>,3|H<1>}	121.9748	0.368	4	121.9748	0.135	4	122.1652	0.283	5	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	122.6712	1.522	118	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.6390	0.054	2	120.6390	0.003	2	120.6390	0.003	2	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	119.2900	0.000	1	119.2900	0.000	1	118.8197	0.253	6	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.5570	0.000	1	118.7542	0.328	4	118.8197	0.253	6	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	118.6255	0.097	2	118.7542	0.328	4	118.8197	0.253	6	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,4|C<3>}	118.2090	0.000	1	118.7542	0.328	4	118.8197	0.253	6	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>}	118.6110	0.000	1	118.6110	0.000	1	118.8197	0.253	6	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	118.1580	0.000	1	118.1580	0.000	1	118.1580	0.000	1	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	119.4420	0.000	1	119.4420	0.000	1	120.5345	0.556	4	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.8200	0.000	1	120.8987	0.038	3	120.5345	0.556	4	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.9380	0.257	2	120.8987	0.038	3	120.5345	0.556	4	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,4|C<3>,5|C<4>}	118.9275	0.204	2	118.9275	0.042	2	118.9275	0.042	2	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	119.3020	0.000	1	119.3020	0.000	1	119.1035	0.079	2	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	118.9050	0.000	1	118.9050	0.000	1	119.1035	0.079	2	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	118.2580	0.211	2	118.2580	0.044	2	118.7223	0.348	7	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.8520	0.000	1	119.8520	0.000	1	118.7223	0.348	7	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	118.7150	0.477	2	118.7150	0.227	2	118.7223	0.348	7	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	118.6290	0.298	2	118.6290	0.089	2	118.7223	0.348	7	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[4x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	117.6625	0.261	2	117.6625	0.068	2	117.6625	0.068	2	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,4|H<1>,5|C<3>}	119.2319	0.166	8	119.2319	0.027	8	119.1478	0.047	11	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	118.9495	0.251	2	118.9237	0.034	3	119.1478	0.047	11	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<1>,5|C<4>}	118.8720	0.000	1	118.9237	0.034	3	119.1478	0.047	11	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	119.8610	0.000	1	119.8610	0.000	1	120.3658	1.257	4	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.9520	0.000	1	120.9520	0.000	1	120.3658	1.257	4	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,4|C<4>,4|H<1>}	121.5840	0.000	1	121.5840	0.000	1	120.3658	1.257	4	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,5|C<4>,5|H<1>}	119.0660	0.000	1	119.0660	0.000	1	120.3658	1.257	4	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	120.4560	0.000	1	120.4560	0.000	1	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,3|H<1>,5|C<3>}	119.5295	0.433	2	119.5295	0.188	2	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.4250	0.000	1	119.3149	0.286	14	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	120.1950	0.000	1	119.3149	0.286	14	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	119.1810	0.483	8	119.3149	0.286	14	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	119.3353	0.620	4	119.3149	0.286	14	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	118.8140	0.000	1	118.8140	0.000	1	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	120.5730	0.000	1	120.5730	0.000	1	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	120.2280	0.000	1	120.2280	0.000	1	119.4769	0.392	20	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	119.1680	0.000	1	119.1680	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	118.9610	0.000	1	118.9610	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	119.9000	0.000	1	119.9000	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,8|C<3>}	117.8710	0.000	1	117.8710	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,6|C<3>}	119.0760	0.455	4	119.0760	0.207	4	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O){1|B<4>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.1720	0.000	1	120.1720	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.5930	0.000	1	118.5930	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.6380	0.000	1	118.6380	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	118.0370	0.000	1	118.0370	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	118.0605	0.324	6	118.1459	0.139	7	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	118.6580	0.000	1	118.1459	0.139	7	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	117.9870	0.000	1	117.9870	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	119.4980	0.000	1	119.4980	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	119.4403	0.634	3	119.4403	0.402	3	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	120.4130	0.000	1	120.4130	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	118.9240	0.000	1	118.9240	0.000	1	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.9343	1.348	4	118.9343	1.818	4	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	119.1525	0.554	2	119.1525	0.307	2	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	120.6620	0.115	5	120.6620	0.013	5	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	119.4965	0.606	2	119.4965	0.367	2	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	119.7967	0.325	3	119.7967	0.105	3	119.1796	0.909	42	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.7733	0.634	3	120.7733	0.402	3	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	117.8330	0.000	1	117.8330	0.000	1	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	118.9570	0.463	4	118.9570	0.215	4	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	119.6397	0.372	3	119.6397	0.139	3	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	118.3405	0.936	2	118.3405	0.875	2	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	120.8080	0.078	2	120.1565	0.281	6	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	119.8307	0.206	4	120.1565	0.281	6	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	120.0960	0.000	1	120.0960	0.000	1	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	119.1550	0.000	1	119.1550	0.000	1	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	120.3440	0.000	1	120.3440	0.000	1	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.3720	0.092	2	121.3720	0.008	2	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.7960	0.000	1	118.7960	0.000	1	119.7462	1.056	25	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	116.9210	0.000	1	116.9210	0.000	1	116.9210	0.000	1	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,2|N<2>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	119.2680	0.341	2	119.2680	0.116	2	119.2680	0.116	2	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	120.8070	0.000	1	120.8070	0.000	1	120.8070	0.000	1	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.6450	0.000	1	118.6450	0.000	1	118.6450	0.000	1	119.3622	0.943	134	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,3|H<1>,4|C<3>}	121.7220	0.739	4	121.7220	0.546	4	121.7220	0.546	4	121.7220	0.546	4	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	5:3:4:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[3x3,4,3x5,15x6]-5:C[6,6a]-3:C-4:	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|C<5>,1|H<1>,2|C<3>}	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6,6a]C[6,6a]C[6a])(CH3){1|C<5>,3|C<3>,4|H<1>,5|B<6>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:4:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	B[4x3,4,5x5,22x6]-6:C[6,6a]-3:C-4:	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<5>,2|H<1>,3|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.9090	0.000	1	123.9090	0.000	1	123.9090	0.000	1	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.0740	0.774	2	120.1118	1.784	4	120.1118	1.784	4	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1495	0.668	2	120.1118	1.784	4	120.1118	1.784	4	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.2440	1.034	2	120.2440	1.069	2	120.2440	1.069	2	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	119.4950	0.000	1	119.4950	0.000	1	119.4950	0.000	1	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.8210	0.000	1	118.8210	0.000	1	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|O<2>,2|C<4>,3|C<3>}	119.6730	0.000	1	119.6730	0.000	1	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.5120	0.000	1	119.5120	0.000	1	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|O<2>,4|C<3>}	120.2370	0.649	2	120.1990	0.215	3	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|O<2>,2|C<4>,3|C<3>}	120.1230	0.000	1	120.1990	0.215	3	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]Cl)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.0220	0.000	1	119.0220	0.000	1	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.4550	0.000	1	118.8287	0.313	3	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.5155	0.194	2	118.8287	0.313	3	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|O<2>}	119.8980	0.000	1	119.6466	0.694	5	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3880	0.098	2	119.6466	0.694	5	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.7795	0.315	2	119.6466	0.694	5	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8655	0.296	2	121.8655	0.088	2	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.0948	0.638	6	119.6639	0.554	25	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.0130	0.000	1	119.6639	0.554	25	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.4876	0.676	7	119.6639	0.554	25	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8003	0.483	9	119.6639	0.554	25	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.1995	0.869	2	119.6639	0.554	25	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.6750	0.000	1	118.9187	0.429	3	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.5405	0.006	2	118.9187	0.429	3	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|C<4>,2|O<2>,3|C<3>}	121.7180	0.000	1	121.7180	0.000	1	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|O<2>,4|C<3>}	121.2610	0.000	1	121.2610	0.000	1	119.7321	0.872	47	119.8499	1.192	55	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCu)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OCu)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCu){1|C<3>,1|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OCu){1|C<4>,2|C<3>,2|O<2>}	122.6930	0.000	1	122.6930	0.000	1	122.8267	0.014	3	122.8267	0.014	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ONi)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(ONi)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ONi){1|C<3>,1|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(ONi){1|C<4>,2|C<3>,2|O<2>}	122.8820	0.000	1	122.8820	0.000	1	122.8267	0.014	3	122.8267	0.014	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OZn)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OZn)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OZn){1|C<3>,1|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OZn){1|C<4>,2|C<3>,2|O<2>}	122.9050	0.000	1	122.9050	0.000	1	122.8267	0.014	3	122.8267	0.014	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	126.2930	0.000	1	126.2930	0.000	1	126.2930	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	126.5930	0.000	1	126.5930	0.000	1	125.2369	0.461	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	124.9680	0.243	3	124.9680	0.059	3	125.2369	0.461	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	124.8447	0.314	3	125.0995	0.325	4	125.2369	0.461	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	125.8640	0.000	1	125.0995	0.325	4	125.2369	0.461	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[5,6]I)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[5,6]I)(H){1|O<2>,5|C<3>}	128.3140	0.000	1	128.3140	0.000	1	128.3140	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	120.6280	0.000	1	120.6280	0.000	1	120.6280	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,2|C<3>,2|C<4>}	122.9440	2.029	2	122.9440	4.118	2	122.9440	4.118	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]Cl)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	120.3388	1.390	4	120.3388	1.933	4	120.4218	1.484	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]S)(CN)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|C<4>,1|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]S)(CN){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	120.7540	0.000	1	120.7540	0.000	1	120.4218	1.484	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	121.6110	0.000	1	121.6110	0.000	1	121.6110	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|O<2>,3|C<3>}	119.6940	0.629	3	119.6940	0.395	3	121.2382	4.672	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OS)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	123.5545	0.118	2	123.5545	0.014	2	121.2382	4.672	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]S)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]C)(SC[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]S)(C[6]N[6]O){1|C<2>,1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]C)(SC[6a]){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|S<2>,3|C<3>}	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	121.1885	0.200	2	121.1885	0.040	2	120.9245	0.153	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	120.3960	0.000	1	120.6605	0.140	2	120.9245	0.153	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	120.9250	0.000	1	120.6605	0.140	2	120.9245	0.153	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<2>,5|C<3>}	120.9820	0.252	2	120.9820	0.063	2	120.8490	0.723	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	119.7070	0.000	1	119.7070	0.000	1	120.8490	0.723	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|N<3>,5|C<3>}	121.7250	0.000	1	121.7250	0.000	1	120.8490	0.723	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	122.9290	0.000	1	122.9290	0.000	1	122.9290	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	118.5028	0.401	5	118.5028	0.161	5	118.9139	0.560	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	120.4150	0.000	1	120.4150	0.000	1	118.9139	0.560	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	119.0770	0.000	1	119.0770	0.000	1	118.9139	0.560	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	119.3050	0.000	1	119.3050	0.000	1	118.9139	0.560	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.2875	0.128	2	120.2875	0.016	2	120.2875	0.016	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	124.5700	0.000	1	124.5700	0.000	1	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|O<2>,2|C<4>,3|C<3>}	120.7790	0.000	1	120.7790	0.000	1	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	124.5150	0.000	1	124.5150	0.000	1	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	124.7610	0.000	1	123.4505	0.859	4	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	123.1355	0.443	2	123.4505	0.859	4	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<2>,1|C<4>,2|O<2>,4|C<3>}	122.7700	0.000	1	123.4505	0.859	4	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	121.5770	1.976	2	121.5770	3.903	2	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.3165	0.088	2	120.4711	0.056	11	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|Cl<1>,1|C<4>,1|H<1>,2|O<2>,3|C<3>}	120.4910	0.000	1	120.4711	0.056	11	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,3|O<2>,4|C<3>}	120.3580	0.000	1	120.4711	0.056	11	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.8005	0.030	2	120.4711	0.056	11	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	120.5960	0.000	3	120.4711	0.056	11	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	120.1555	0.177	2	120.4711	0.056	11	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	121.8354	0.664	5	121.7913	0.308	7	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,3|O<2>}	121.6810	0.221	2	121.7913	0.308	7	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	121.0678	0.161	4	121.1998	0.107	5	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|O<2>}	121.7280	0.000	1	121.1998	0.107	5	121.5794	1.809	32	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.1460	0.000	1	120.1460	0.000	1	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.0990	0.000	1	119.0990	0.000	1	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	120.7050	0.000	1	120.7050	0.000	1	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OH){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	119.3240	0.000	1	119.3240	0.000	1	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|C<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.3140	0.000	1	119.1795	0.036	2	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.0450	0.000	1	119.1795	0.036	2	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.2090	0.000	1	120.3309	0.074	7	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.4400	0.000	1	120.3309	0.074	7	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	119.8880	0.000	1	120.3309	0.074	7	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.6485	0.077	2	120.3309	0.074	7	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<7>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.2380	0.000	1	120.3309	0.074	7	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.2440	0.000	1	120.3309	0.074	7	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.7850	0.107	2	120.7850	0.012	2	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.6080	0.000	1	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	122.4480	0.000	1	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.2765	0.019	2	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.1640	0.780	11	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	122.3333	0.972	6	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	122.3023	0.226	3	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	122.3808	0.520	18	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	123.1668	0.594	5	122.0853	0.822	47	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){2|O<2>,5|C<3>}	121.0085	0.602	2	121.0085	0.362	2	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|C<4>,1|O<2>,5|C<3>}	118.3125	0.326	2	118.3125	0.106	2	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|O<2>,5|C<3>}	122.4450	0.000	1	122.4450	0.000	1	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	120.0170	0.558	3	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	118.4460	0.000	1	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.1055	0.545	2	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.5025	0.284	2	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.5570	0.000	1	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.6295	0.683	22	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.9953	0.549	3	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	121.4260	0.000	1	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.2910	0.000	1	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.8850	0.000	1	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.7987	0.337	7	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.5000	0.000	1	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.7105	0.690	15	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.9938	0.173	6	120.2336	0.643	66	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.3900	0.021	2	122.0842	0.643	4	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	122.7785	0.029	2	122.0842	0.643	4	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	118.6690	0.119	2	118.9573	0.189	4	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	119.2455	0.470	2	118.9573	0.189	4	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	121.9700	0.000	1	122.2412	0.351	6	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.9657	0.407	3	122.2412	0.351	6	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	123.3010	0.000	1	122.2412	0.351	6	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	122.2790	0.000	1	122.2412	0.351	6	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.2135	0.791	2	119.6178	0.485	5	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.2207	0.258	3	119.6178	0.485	5	120.8667	1.669	152	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.5490	0.494	9	121.5490	0.245	9	121.5490	0.245	9	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.7003	0.352	3	121.7003	0.124	3	121.7003	0.124	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	N[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){3|O<2>,5|C<3>}	122.1510	0.000	1	122.1510	0.000	1	121.8080	0.235	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	N[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){3|O<2>,5|C<3>}	121.4650	0.000	1	121.4650	0.000	1	121.8080	0.235	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	120.6830	0.000	1	120.6830	0.000	1	121.0220	0.230	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	121.3610	0.000	1	121.3610	0.000	1	121.0220	0.230	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	120.9440	0.130	2	120.9380	0.020	4	120.9614	0.017	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|Se<2>,5|C<3>}	120.9320	0.204	2	120.9380	0.020	4	120.9614	0.017	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	121.0550	0.000	1	121.0550	0.000	1	120.9614	0.017	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	119.5370	0.495	2	119.5370	0.245	2	119.5370	0.245	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|O<2>,2|C<3>,2|C<4>}	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.8790	0.000	1	117.7526	0.064	5	117.7526	0.064	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.7210	0.281	4	117.7526	0.064	5	117.7526	0.064	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.3330	0.000	1	121.3330	0.000	1	121.3330	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	119.7115	0.193	2	119.7115	0.037	2	119.7115	0.037	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	118.5900	0.000	1	118.5900	0.000	1	120.4760	1.000	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	122.0980	0.000	1	122.0980	0.000	1	120.4760	1.000	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.4725	0.704	2	120.5200	0.160	6	120.4760	1.000	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.4865	0.513	2	120.5200	0.160	6	120.4760	1.000	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.6010	0.157	2	120.5200	0.160	6	120.4760	1.000	8	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|C<4>,1|O<2>,2|C<3>}	123.2310	0.000	1	123.2310	0.000	1	123.0277	0.051	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	122.9260	0.199	2	122.9260	0.040	2	123.0277	0.051	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|O<2>,3|C<3>}	121.2340	0.000	1	121.2340	0.000	1	120.8550	0.115	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	120.5800	0.000	1	120.5800	0.000	1	120.8550	0.115	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,2|O<2>}	120.7510	0.000	1	120.7510	0.000	1	120.8550	0.115	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(OH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){2|O<2>,3|C<3>,4|C<4>}	119.3590	0.000	1	119.3590	0.000	1	119.3590	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,3|C<3>}	123.3575	0.194	2	123.3575	0.038	2	122.0867	4.864	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)(CN){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	119.5450	0.000	1	119.5450	0.000	1	122.0867	4.864	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	125.1520	0.000	1	125.1520	0.000	1	123.8297	3.304	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]N)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.1685	1.996	2	123.1685	3.985	2	123.8297	3.304	3	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.6650	0.000	1	120.6650	0.000	1	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|Cr<9>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OSi){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Cr<9>,1|O<2>,2|C<3>,2|C<4>}	120.0243	0.438	3	120.0243	0.191	3	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	121.1762	0.536	5	121.1762	0.287	5	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	124.0993	1.676	12	124.0993	2.809	12	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.9625	0.039	2	122.9625	0.002	2	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	122.8763	0.369	3	122.8763	0.136	3	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.6200	0.000	1	122.6200	0.000	1	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.2690	0.000	1	123.2690	0.000	1	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	122.4520	0.000	1	122.4520	0.000	1	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9490	0.000	1	120.3835	0.114	4	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3160	0.000	1	120.3835	0.114	4	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6345	0.148	2	120.3835	0.114	4	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.5470	0.000	1	124.5470	0.000	1	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.3780	0.000	1	123.6129	0.065	7	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.6520	0.255	6	123.6129	0.065	7	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,3|C<3>}	122.4780	0.000	1	122.4780	0.000	1	122.6799	3.062	42	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	120.0790	0.000	1	120.0790	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.2905	1.009	2	122.2905	1.018	2	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(OH){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O){2|O<2>,3|C<3>}	119.5570	0.225	2	119.5570	0.051	2	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	119.6798	0.956	5	119.6798	0.914	5	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|O<2>,3|C<3>}	119.7840	0.000	1	119.7840	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.1950	0.062	3	120.1950	0.004	3	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.1140	0.000	1	120.1140	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|O<2>,3|C<3>}	119.8865	0.071	2	119.8865	0.005	2	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.8850	0.000	1	120.8850	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|O<2>,3|C<3>}	119.6480	0.143	2	119.6480	0.020	2	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|O<2>,3|C<3>}	120.9180	0.144	2	121.0400	0.055	3	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	121.2840	0.000	1	121.0400	0.055	3	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	122.0980	0.000	1	122.0980	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	120.0730	0.000	1	120.0730	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	119.8000	0.000	1	120.1860	0.232	5	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,3|C<3>}	120.5660	0.000	1	120.1860	0.232	5	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>}	120.4960	0.253	2	120.1860	0.232	5	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	119.5720	0.000	1	120.1860	0.232	5	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	120.6680	0.000	1	120.6680	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	119.0760	0.000	1	120.4689	0.630	8	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	119.8560	0.000	1	120.4689	0.630	8	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.3770	0.000	1	120.4689	0.630	8	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	121.1830	0.153	2	120.4689	0.630	8	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,4|C<3>}	121.3590	0.000	1	120.4689	0.630	8	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	120.6940	0.000	1	120.4689	0.630	8	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,1|S<2>,3|C<3>}	120.0230	0.000	1	120.4689	0.630	8	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	120.2920	0.000	1	120.5405	0.124	2	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	120.7890	0.000	1	120.5405	0.124	2	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	120.5090	0.000	1	120.5090	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|O<2>,3|C<3>}	123.5210	0.000	1	123.5210	0.000	1	120.4270	0.914	43	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|O<2>,4|C<3>}	120.0648	0.518	5	120.0648	0.268	5	120.0648	0.268	5	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(SC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	124.9375	0.098	2	124.9375	0.010	2	124.9375	0.010	2	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	120.0825	0.005	2	120.8225	0.795	4	121.1710	0.770	6	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	121.5625	0.441	2	120.8225	0.795	4	121.1710	0.770	6	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	121.8680	0.082	2	121.8680	0.007	2	121.1710	0.770	6	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	121.1225	0.299	4	121.1225	0.089	4	121.1225	0.089	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	121.6700	0.182	2	121.6700	0.033	2	121.5525	0.045	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	121.4350	0.212	2	121.4350	0.045	2	121.5525	0.045	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	119.3400	0.000	1	119.3400	0.000	1	119.3400	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	118.7370	0.000	1	118.7840	0.004	2	118.9642	0.045	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.8310	0.000	1	118.7840	0.004	2	118.9642	0.045	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.1445	0.021	2	119.1445	0.000	2	118.9642	0.045	4	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|O<2>,3|C<3>}	121.4060	0.000	1	121.4060	0.000	1	123.1276	1.455	16	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.3340	0.162	3	123.3340	0.026	3	123.1276	1.455	16	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	124.6660	0.000	1	123.2194	1.689	12	123.1276	1.455	16	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.0175	1.639	6	123.2194	1.689	12	123.1276	1.455	16	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.1724	0.837	5	123.2194	1.689	12	123.1276	1.455	16	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	123.4430	0.000	1	123.4430	0.000	1	123.4430	0.000	1	121.2547	2.952	414	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]){1|S<2>,2|O<2>,4|C<3>}	122.0547	0.879	4	122.0547	0.773	4	122.0547	0.773	4	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NN){2|O<2>,5|C<3>}	124.4485	0.569	2	123.8487	0.640	4	123.8487	0.640	4	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|C<4>,2|O<2>,4|C<3>}	123.2490	0.397	2	123.8487	0.640	4	123.8487	0.640	4	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCu)	C[6](C[6,6a]C[6,6a]C[6a])2(OCu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCu){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OCu){1|H<1>,1|O<2>,5|C<3>}	123.2910	0.000	1	123.2910	0.000	1	122.5372	0.926	5	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OFe)	C[6](C[6,6a]C[6,6a]C[6a])2(OFe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OFe){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OFe){2|O<2>,5|C<3>}	122.1980	0.000	1	122.1980	0.000	1	122.5372	0.926	5	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(OFe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OFe){2|O<2>,5|C<3>}	121.4500	0.000	1	121.4500	0.000	1	122.5372	0.926	5	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ORu)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ORu){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|O<2>,5|C<3>}	123.7710	0.000	1	123.7710	0.000	1	122.5372	0.926	5	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OZn)	C[6](C[6,6a]C[6,6a]C[6a])2(OZn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OZn){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OZn){1|H<1>,1|O<2>,5|C<3>}	121.9760	0.000	1	121.9760	0.000	1	122.5372	0.926	5	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	125.9080	0.000	1	125.9080	0.000	1	125.9080	0.000	1	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCu){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCu){1|C<4>,1|O<2>,3|C<3>}	122.9270	0.000	1	122.9270	0.000	1	123.2200	3.719	4	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OFe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OFe){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe){1|Br<1>,1|O<2>,3|C<3>}	120.6630	0.000	1	120.6630	0.000	1	123.2200	3.719	4	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(ONi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(ONi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(ONi){2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(ONi){2|O<2>,3|C<3>}	124.1590	0.000	1	124.1590	0.000	1	123.2200	3.719	4	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OLi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OLi){1|C<3>,1|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi){1|C<3>,1|C<4>,3|O<2>}	125.1310	0.000	1	125.1310	0.000	1	123.2200	3.719	4	123.1222	2.029	19	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br){1|S<2>,2|O<2>,4|C<3>}	124.0085	0.107	2	124.0085	0.011	2	124.0085	0.011	2	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a]){1|N<3>,2|O<2>,7|C<3>}	125.3080	0.000	1	125.3080	0.000	1	125.3080	0.000	1	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|O<2>,6|C<3>}	124.1826	0.313	8	123.7124	1.059	10	123.9205	1.429	11	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,2|O<2>,6|C<3>}	121.8315	0.033	2	123.7124	1.059	10	123.9205	1.429	11	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	126.0010	0.000	1	126.0010	0.000	1	123.9205	1.429	11	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ONi)	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ONi){1|H<1>,1|O<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2){2|O<2>,5|C<3>}	123.7275	0.469	2	123.7275	0.220	2	123.7275	0.220	2	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|O<2>,3|C<3>}	123.9573	0.390	3	123.9573	0.152	3	124.3012	0.402	6	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	123.8620	0.000	1	123.8620	0.000	1	124.3012	0.402	6	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	124.8430	0.000	1	124.8430	0.000	1	124.3012	0.402	6	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){2|O<2>,3|C<3>}	125.2300	0.000	1	125.2300	0.000	1	124.3012	0.402	6	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-3:	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OLi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi2)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OLi){1|C<3>,1|C<4>,1|O<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi2){1|C<3>,1|C<4>,3|O<2>}	124.6620	0.377	4	124.6620	0.142	4	124.6620	0.142	4	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	123.1340	0.000	1	123.1340	0.000	1	123.1340	0.000	1	124.1294	0.826	27	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|O<2>,5|C<3>}	124.0740	0.049	2	124.0740	0.002	2	124.0740	0.002	2	124.7737	1.470	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3){2|H<1>,2|O<2>,4|C<3>}	126.1730	0.000	1	126.1730	0.000	1	126.1730	0.000	1	124.7737	1.470	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	124.1990	0.000	1	124.1990	0.000	1	125.4675	3.218	2	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	126.7360	0.000	1	126.7360	0.000	1	125.4675	3.218	2	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O){1|O<2>,2|C<4>,3|C<3>}	120.4127	0.153	3	120.4127	0.024	3	120.4127	0.024	3	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.4885	0.100	2	119.4885	0.010	2	119.4885	0.010	2	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	121.8780	0.000	1	121.8780	0.000	1	120.2707	0.979	12	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	120.2780	0.000	1	120.2780	0.000	1	120.2707	0.979	12	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.5970	0.000	1	120.5970	0.000	1	120.2707	0.979	12	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	119.0820	0.000	1	119.3755	0.172	2	120.2707	0.979	12	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	119.6690	0.000	1	119.3755	0.172	2	120.2707	0.979	12	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	118.5140	0.000	1	118.5140	0.000	1	120.2707	0.979	12	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	120.5383	0.747	6	120.5383	0.559	6	120.2707	0.979	12	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	118.4130	0.000	1	118.4130	0.000	1	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.5970	0.000	1	120.5970	0.000	1	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.2180	0.000	1	122.2180	0.000	1	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	120.2200	0.144	2	120.2200	0.021	2	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.3235	0.105	2	120.2197	0.557	7	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.1420	0.000	1	120.2197	0.557	7	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.3320	0.000	1	120.2197	0.557	7	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.5370	0.000	1	120.2197	0.557	7	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.4400	1.063	2	120.2197	0.557	7	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,1|S<2>,2|C<4>,2|O<2>,3|C<3>}	119.1115	0.467	2	119.5313	0.638	3	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	120.3710	0.000	1	119.5313	0.638	3	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	120.4640	0.000	1	120.4640	0.000	1	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	121.0330	0.243	3	121.0410	0.040	4	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	121.0650	0.000	1	121.0410	0.040	4	120.3214	0.849	20	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.9780	0.331	4	117.9780	0.109	4	118.1958	0.319	5	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.0670	0.000	1	119.0670	0.000	1	118.1958	0.319	5	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|C<3>}	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	122.6350	0.000	1	122.6350	0.000	1	122.6350	0.000	1	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.9760	0.000	1	118.9760	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O){1|O<2>,2|C<3>,3|C<4>}	118.1800	0.000	1	118.1800	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.2270	0.000	1	123.2270	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1600	0.000	1	119.5384	0.147	5	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	119.3830	0.188	4	119.5384	0.147	5	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9398	0.321	5	119.9968	0.102	6	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2820	0.000	1	119.9968	0.102	6	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.9462	0.571	4	118.9462	0.326	4	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	120.8290	0.000	1	120.8290	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	121.1930	0.000	1	121.1930	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.7922	0.256	4	119.7922	0.066	4	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.4100	0.000	1	121.4100	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7830	0.000	1	122.7830	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.3680	0.000	1	120.1088	0.061	4	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0005	0.301	2	120.1088	0.061	4	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.0660	0.000	1	120.1088	0.061	4	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	120.9550	0.000	1	120.9550	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	121.7400	0.000	1	121.7400	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O){1|C<4>,2|C<3>,3|O<2>}	123.6270	0.000	1	123.6270	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	120.1000	0.000	1	120.7887	0.397	3	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	121.1330	0.288	2	120.7887	0.397	3	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	121.3670	0.000	1	121.3670	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,2|C<3>,3|O<2>}	123.1710	0.000	1	123.1710	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	124.9840	0.000	1	124.4825	0.503	2	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	123.9810	0.000	1	124.4825	0.503	2	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	124.1490	0.000	1	124.1490	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	121.3027	0.117	3	121.4969	0.248	7	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	121.6425	0.648	4	121.4969	0.248	7	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	121.8992	0.244	6	121.9349	0.059	7	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	122.1490	0.000	1	121.9349	0.059	7	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	123.8630	0.000	1	123.8630	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	121.4330	0.000	1	121.4330	0.000	1	120.9705	2.346	57	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	119.2200	0.000	1	119.2200	0.000	1	120.0187	0.708	3	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.8970	0.000	1	120.8970	0.000	1	120.0187	0.708	3	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	119.9390	0.000	1	119.9390	0.000	1	120.0187	0.708	3	120.6099	2.512	109	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	124.4257	0.222	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	123.9600	0.000	1	123.9600	0.000	1	123.9600	0.000	1	124.4257	0.222	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){2|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	124.4140	0.000	1	124.4140	0.000	1	124.4140	0.000	1	124.4257	0.222	3	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	120.9670	2.759	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	120.4440	0.000	1	120.4440	0.000	1	120.4440	0.000	1	120.9670	2.759	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[4x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	120.7950	0.000	1	120.7950	0.000	1	120.7950	0.000	1	120.9670	2.759	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	122.3105	0.105	2	122.3105	0.011	2	122.3105	0.011	2	120.9670	2.759	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	120.9670	2.759	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,4|C<3>,4|O<2>}	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	120.9670	2.759	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.4880	0.305	4	119.4880	0.093	4	119.4880	0.093	4	120.9670	2.759	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]O[6]O){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<1>,4|C<3>}	119.8480	0.049	2	119.8480	0.002	2	119.8480	0.002	2	121.0658	1.221	9	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:B[5]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(B[5]O[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(B[5]O[5]2){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|B<3>,1|O<2>,2|C<3>,2|C<4>}	120.9120	0.000	1	120.9120	0.000	1	120.9120	0.000	1	121.0658	1.221	9	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|N<2>,3|C<3>}	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	121.0658	1.221	9	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O){1|N<3>,2|C<3>,3|C<4>}	120.9145	0.052	2	120.9145	0.003	2	120.9145	0.003	2	121.0658	1.221	9	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	121.5030	0.187	2	121.5030	0.035	2	121.2063	0.281	3	121.0658	1.221	9	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]O[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]O[6]O){1|Ni<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|N<3>,4|C<3>}	120.6130	0.000	1	120.6130	0.000	1	121.2063	0.281	3	121.0658	1.221	9	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	B[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){7|C<3>}	C[6a](C[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)2{1|O<1>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O){7|C<3>}	120.3790	0.000	1	120.3790	0.000	1	120.3790	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.3440	0.000	1	121.3440	0.000	1	121.3440	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	118.8190	0.000	1	118.8190	0.000	1	118.8190	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:B[5]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(B[5]O[5]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]H)(B[5]O[5]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|B<3>,1|O<1>,3|C<3>}	118.4130	0.280	2	118.4130	0.078	2	118.4130	0.078	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)(C[6a]O[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	123.6450	0.245	2	123.6450	0.060	2	123.6450	0.060	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	118.6960	0.000	1	118.6960	0.000	1	120.4476	1.280	10	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.5640	0.290	2	121.2343	1.390	3	120.4476	1.280	10	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	122.5750	0.000	1	121.2343	1.390	3	120.4476	1.280	10	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.3270	0.260	2	120.3270	0.068	2	120.4476	1.280	10	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	121.2245	0.661	2	121.2245	0.437	2	120.4476	1.280	10	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	119.1470	0.000	1	119.1470	0.000	1	120.4476	1.280	10	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	119.8270	0.000	1	119.8270	0.000	1	120.4476	1.280	10	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]2){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,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]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	121.8420	1.179	2	121.8420	1.391	2	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	121.0410	0.130	2	121.0653	0.010	3	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	121.1140	0.000	1	121.0653	0.010	3	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.2590	0.767	2	120.9200	0.936	4	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	121.5810	0.687	2	120.9200	0.936	4	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	121.3080	0.000	1	121.3080	0.000	1	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	121.8860	0.000	1	121.8860	0.000	1	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]I)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|I<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	121.7590	0.000	1	121.7590	0.000	1	121.2927	0.555	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.7100	0.000	1	120.7100	0.000	1	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|C<2>,1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.8160	0.000	1	119.3330	0.467	2	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	118.8500	0.000	1	119.3330	0.467	2	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NAuH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NAuH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.8170	0.000	1	120.8170	0.000	1	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	123.7020	0.000	1	123.7020	0.000	1	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.6144	0.932	5	121.3230	0.829	7	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	120.5945	0.121	2	121.3230	0.829	7	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.0030	0.677	3	121.5896	0.903	5	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	122.4695	0.342	2	121.5896	0.903	5	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.9870	0.000	1	120.9870	0.000	1	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	119.7450	0.000	1	119.9127	2.031	6	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	119.0020	1.288	3	119.9127	2.031	6	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.1200	0.000	1	119.9127	2.031	6	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.6050	0.000	1	119.9127	2.031	6	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.5165	0.245	4	121.2351	0.668	13	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	120.7947	0.316	4	121.2351	0.668	13	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	122.1975	0.114	2	121.2351	0.668	13	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|N<3>,5|C<3>}	121.7980	0.000	1	121.2351	0.668	13	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	122.3090	0.453	2	121.2351	0.668	13	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|N<3>,5|C<3>}	119.3583	0.607	3	120.7926	1.237	11	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.5995	0.203	4	120.7926	1.237	11	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	120.3050	0.069	2	120.7926	1.237	11	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	121.8180	0.392	2	120.7926	1.237	11	120.9655	1.346	48	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|N<2>,4|C<3>}	121.0037	0.540	3	121.0037	0.291	3	121.0037	0.291	3	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	125.3260	0.000	1	125.3260	0.000	1	125.3260	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<4>,3|C<3>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.5840	1.812	2	125.3110	1.865	3	124.8327	0.737	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.7650	0.000	1	125.3110	1.865	3	124.8327	0.737	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CCrO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CCrO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.6550	0.000	1	124.6550	0.000	1	124.8327	0.737	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(COO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	125.5210	0.431	2	125.5210	0.186	2	124.8327	0.737	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,4|C<3>}	124.3938	0.523	6	124.3938	0.274	6	124.8327	0.737	12	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CCO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	119.6960	0.000	1	119.6960	0.000	1	120.5732	0.643	13	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	121.0952	0.448	4	121.0952	0.200	4	120.5732	0.643	13	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	120.5270	0.000	1	120.5270	0.000	1	120.5732	0.643	13	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,6|C<3>}	120.0230	0.583	3	120.0230	0.339	3	120.5732	0.643	13	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|N<3>,4|C<3>}	120.2435	0.250	2	120.2435	0.062	2	120.5732	0.643	13	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(COO){1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	119.9770	0.000	1	119.9770	0.000	1	120.5732	0.643	13	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Cl<1>,1|N<2>,3|C<3>}	122.3150	0.000	1	122.3150	0.000	1	120.5732	0.643	13	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])(C[5a]C[5a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]H){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|N<3>,1|S<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	123.3508	0.698	6	123.3508	0.487	6	123.3508	0.487	6	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	126.5885	0.230	2	126.5885	0.053	2	122.9564	9.083	7	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	120.2260	0.412	2	120.2260	0.169	2	122.9564	9.083	7	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<1>,4|C<3>}	120.9495	0.192	2	120.9495	0.037	2	122.9564	9.083	7	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ir<6>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	125.1670	0.000	1	125.1670	0.000	1	122.9564	9.083	7	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	121.4440	0.000	1	121.4440	0.000	1	121.5000	0.006	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O[6a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O[6a])(C[6a]C[6a]O){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	121.5560	0.000	1	121.5560	0.000	1	121.5000	0.006	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.6750	0.000	1	124.6967	0.002	4	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.7040	0.048	3	124.6967	0.002	4	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.9010	0.000	1	123.9010	0.000	1	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.7150	0.000	1	126.7150	0.000	1	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.4673	0.417	3	123.4673	0.174	3	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.2820	0.185	3	123.5740	0.364	4	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.4500	0.000	1	123.5740	0.364	4	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.1490	0.048	2	122.6927	0.888	3	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.7800	0.000	1	122.6927	0.888	3	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.8550	0.000	1	127.8377	0.526	9	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.5480	0.000	1	127.8377	0.526	9	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	128.1980	0.000	1	127.8377	0.526	9	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	128.4170	0.000	1	127.8377	0.526	9	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Os<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.3700	0.000	1	127.8377	0.526	9	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.8497	1.300	3	127.8377	0.526	9	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	127.6020	0.000	1	127.8377	0.526	9	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	123.4530	0.000	1	123.4530	0.000	1	125.2373	4.660	26	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.4780	0.000	1	121.2750	1.270	2	121.2750	1.270	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	122.0720	0.000	1	121.2750	1.270	2	121.2750	1.270	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H){1|H<1>,1|N<3>,3|C<3>}	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|N<3>,2|C<4>,5|C<3>}	120.3085	0.200	2	120.3085	0.040	2	120.3085	0.040	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]2){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	123.3460	0.178	2	123.3460	0.032	2	123.3460	0.032	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(COO){1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	118.5965	0.264	2	118.5965	0.070	2	118.5965	0.070	2	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.0670	0.245	3	119.9062	0.194	6	119.9062	0.194	6	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	119.7453	0.589	3	119.9062	0.194	6	119.9062	0.194	6	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){7|C<3>}	122.0300	0.598	2	122.0300	0.358	2	122.4292	0.477	4	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	122.8285	0.660	2	122.8285	0.435	2	122.4292	0.477	4	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.2450	0.235	4	121.2450	0.055	4	121.2450	0.055	4	122.0351	5.115	177	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO){2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){2|H<1>,2|O<2>,4|C<3>}	127.8190	0.000	1	127.8190	0.000	1	127.8190	0.000	1	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NRuH)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NRuH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	122.9797	0.926	3	122.7740	0.563	6	122.7740	0.563	6	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NRuH)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NRuH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	122.5683	0.651	3	122.7740	0.563	6	122.7740	0.563	6	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|N<2>,1|O<1>,3|C<3>}	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|H<1>,3|C<3>}	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH){1|H<1>,1|N<3>,3|C<3>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|H<1>,2|C<3>,2|N<3>}	121.5360	0.000	1	121.5360	0.000	1	121.5650	0.002	2	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(NHH){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|H<1>,2|C<3>,2|N<3>}	121.5940	0.000	1	121.5940	0.000	1	121.5650	0.002	2	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	122.7677	3.084	13	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	125.2620	0.000	1	125.2620	0.000	1	125.2620	0.000	1	122.9535	1.590	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCo2)	C[6](C[6,6a]C[6,6a]C[6a])2(OCo2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OCo2){1|H<1>,1|O<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OCo2){2|O<3>,5|C<3>}	122.3290	1.095	2	122.3290	1.198	2	122.5373	0.505	4	122.9535	1.590	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ONi2)	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(ONi2){1|H<1>,1|O<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2){2|O<3>,5|C<3>}	122.7455	0.380	2	122.7455	0.144	2	122.5373	0.505	4	122.9535	1.590	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NRh2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NRh2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N){1|C<2>,1|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NRh2){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NRh2){1|N<3>,3|C<3>}	122.3100	0.000	1	122.3100	0.000	1	122.3100	0.000	1	122.9535	1.590	6	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH){1|C<4>,2|H<1>,7|C<3>}	123.7930	0.000	1	123.7930	0.000	1	123.7930	0.000	1	123.7930	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	121.2170	0.000	1	121.2170	0.000	1	121.2170	0.000	1	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|N<3>,3|H<1>,5|C<3>}	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,5|C<3>}	120.6590	0.000	1	120.6590	0.000	1	119.7890	1.514	2	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|C<4>,2|H<1>,3|C<3>}	118.9190	0.000	1	118.9190	0.000	1	119.7890	1.514	2	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){5|C<3>}	123.2180	0.000	1	123.2180	0.000	1	121.8847	1.805	6	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	120.3720	0.006	2	120.3720	0.000	2	121.8847	1.805	6	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.4330	0.000	1	122.9080	0.451	2	121.8847	1.805	6	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	123.3830	0.000	1	122.9080	0.451	2	121.8847	1.805	6	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	121.5300	0.000	1	121.5300	0.000	1	121.8847	1.805	6	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|N<2>,1|N<3>,3|C<4>}	121.9190	0.000	1	121.9190	0.000	1	121.9190	0.000	1	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[5a]C[5a]S[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[5a]C[5a]S[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|C<4>}	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]S[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	119.8560	0.000	1	119.8560	0.000	1	119.8560	0.000	1	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	122.1747	0.318	3	122.4073	0.284	4	122.4073	0.284	4	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	123.1050	0.000	1	122.4073	0.284	4	122.4073	0.284	4	121.5463	1.531	17	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH){1|N<3>,3|H<1>,5|C<3>}	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|H<1>,3|C<3>}	126.9390	0.000	1	126.9390	0.000	1	126.9390	0.000	1	126.9390	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3){1|C<3>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	122.8442	0.323	9	122.8442	0.104	9	122.7613	0.150	12	123.0231	0.571	14	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.2315	0.301	2	122.2315	0.090	2	122.7613	0.150	12	123.0231	0.571	14	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	123.0740	0.000	1	123.0740	0.000	1	122.7613	0.150	12	123.0231	0.571	14	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,6|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.6990	0.000	1	124.6990	0.000	1	124.6990	0.000	1	123.0231	0.571	14	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCFF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCFF){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	124.4890	0.000	1	124.4890	0.000	1	124.4890	0.000	1	123.0231	0.571	14	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	121.7790	0.232	4	122.0018	0.172	6	122.0018	0.172	6	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	122.4475	0.317	2	122.0018	0.172	6	122.0018	0.172	6	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	121.8370	0.000	1	121.8370	0.000	1	121.8370	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(PC3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(PC3){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	121.0805	0.097	2	121.0805	0.009	2	120.9700	0.041	3	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(PC[6a]3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(PC[6a]3){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	120.7490	0.000	1	120.7490	0.000	1	120.9700	0.041	3	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|C<4>}	122.6880	0.000	1	122.7295	0.003	2	122.7295	0.003	2	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<4>,1|N<2>,1|O<2>,1|S<4>,3|C<3>}	122.7710	0.000	1	122.7295	0.003	2	122.7295	0.003	2	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,5|C<3>}	119.2230	0.000	1	119.2230	0.000	1	119.2230	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SCOO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SCOO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	123.3950	1.202	2	123.3950	1.445	2	123.7482	0.974	10	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	122.1770	0.000	1	122.1770	0.000	1	123.7482	0.974	10	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	124.0736	0.803	7	124.0736	0.644	7	123.7482	0.974	10	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3){2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	122.4700	0.000	1	122.4700	0.000	1	122.4700	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]Cl){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(CH3){1|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|C<4>}	126.9860	0.769	2	126.9860	0.592	2	126.9860	0.592	2	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.2730	0.000	1	121.2730	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Co<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.6178	1.099	12	124.2963	0.803	42	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.8235	0.958	2	124.2963	0.803	42	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Cu<5>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3739	0.422	8	124.2963	0.803	42	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Fe<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.7123	0.175	6	124.2963	0.803	42	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ni<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4502	0.487	6	124.2963	0.803	42	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.9595	0.132	2	124.2963	0.803	42	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Zn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.5833	0.305	6	124.2963	0.803	42	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	122.6730	0.000	1	122.6730	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	121.3220	0.000	1	121.3220	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6650	0.305	2	124.1322	0.340	4	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.5995	0.231	2	124.1322	0.340	4	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3300	0.000	1	124.3300	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHHP){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.3020	0.687	2	124.3020	0.472	2	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	123.9240	0.000	1	123.9240	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	123.8920	0.000	1	123.8920	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(CHHO){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	125.6170	0.000	1	125.6170	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	126.3500	0.051	2	126.3500	0.003	2	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	125.2530	0.000	1	124.5943	0.360	3	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	124.2650	0.263	2	124.5943	0.360	3	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	125.0220	0.000	1	125.3645	0.235	2	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	125.7070	0.000	1	125.3645	0.235	2	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	124.5478	0.809	5	124.5478	0.655	5	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<2>,1|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6,6]HO){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	124.7130	0.000	1	124.7130	0.000	1	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	125.4260	0.000	1	124.7802	0.495	5	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<5>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	124.4490	0.000	1	124.7802	0.495	5	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	124.3930	0.000	1	124.7802	0.495	5	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|W<6>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	124.0100	0.000	1	124.7802	0.495	5	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	125.6230	0.000	1	124.7802	0.495	5	124.3448	1.045	73	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(CH3){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	122.9675	0.880	2	122.9675	0.775	2	122.6849	1.873	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	121.4725	0.214	4	121.4725	0.046	4	122.6849	1.873	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	125.2410	0.000	1	125.2410	0.000	1	122.6849	1.873	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	123.5490	0.033	2	123.5490	0.001	2	122.6849	1.873	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|O<1>,2|C<3>,2|C<4>}	121.0520	0.000	1	121.0520	0.000	1	121.8370	1.232	2	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|C<3>,3|C<4>}	122.6220	0.000	1	122.6220	0.000	1	121.8370	1.232	2	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[3]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.8700	0.000	1	122.8700	0.000	1	122.8700	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>}	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.4920	0.000	1	125.4920	0.000	1	125.4920	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ag<3>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	124.6150	0.000	1	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ba<11>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	124.4270	0.000	1	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Mg<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	125.0170	0.000	1	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	124.6330	0.000	1	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	125.3800	0.000	1	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	124.6540	0.000	1	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	125.1560	0.000	1	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	126.1715	0.511	2	125.1361	0.467	9	125.1361	0.467	9	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|C<4>,1|N<2>,4|C<3>}	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CF3){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	122.5630	0.000	1	122.5630	0.000	1	122.5630	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.4057	0.398	3	122.4057	0.159	3	122.4057	0.159	3	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]Ge[6a]C[6])(C[6a]C[6a]Si)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]N[6a])(SiC3)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]Ge[6a]C[6])(C[6a]C[6a]Si)(C[6]C[6]H){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]N[6a])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	123.8328	2.189	128	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){1|C<2>,1|O<1>,2|C<4>,4|C<3>}	123.2740	0.000	1	123.2740	0.000	1	123.2740	0.000	1	125.4866	1.604	5	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SO3){1|N<2>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,1|S<4>,3|C<3>}	126.0397	0.314	4	126.0397	0.098	4	126.0397	0.098	4	125.4866	1.604	5	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	123.4480	0.000	1	123.4480	0.000	1	123.4480	0.000	1	124.4200	1.890	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<4>,3|C<3>}	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	124.4200	1.890	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]C){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|H<1>,4|C<3>,4|C<4>}	124.6810	0.000	1	124.6810	0.000	1	124.6810	0.000	1	124.2445	0.381	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	124.2445	0.381	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	123.1730	0.583	2	123.1730	0.339	2	123.2570	0.130	4	123.0277	1.546	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	123.3410	0.154	2	123.3410	0.024	2	123.2570	0.130	4	123.0277	1.546	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	123.0277	1.546	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	124.6890	0.000	1	124.6890	0.000	1	124.6890	0.000	1	123.0277	1.546	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2110	0.000	1	122.2110	0.000	1	123.1180	0.719	5	123.0277	1.546	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.8100	0.133	2	122.8100	0.018	2	123.1180	0.719	5	123.0277	1.546	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CF3){1|O<2>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.8795	0.828	2	123.8795	0.686	2	123.1180	0.719	5	123.0277	1.546	11	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	125.5660	0.000	1	125.5660	0.000	1	125.5660	0.000	1	125.5660	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[3,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.5930	0.000	1	122.5930	0.000	1	122.5930	0.000	1	122.5930	0.000	1	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O[5]H)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	121.7980	0.221	2	121.7980	0.049	2	121.7980	0.049	2	121.7980	0.049	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	4:3:3:	3:3:1:	3:3:1:	N[6,6a]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6]Os)(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6]Os)(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]H)(H){1|Os<7>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|Os<7>,2|H<1>,5|C<3>}	128.7250	0.000	1	128.7250	0.000	1	128.4835	0.117	2	128.4835	0.117	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	4:3:3:	3:3:1:	3:3:1:	N[6,6a]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6]Ru)(C[6a]C[6a]H)(C[6]C[6]H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6]Ru)(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]C[6a]2)(H){1|Ru<7>,2|H<1>,5|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<7>,2|H<1>,3|C<3>}	128.2420	0.000	1	128.2420	0.000	1	128.4835	0.117	2	128.4835	0.117	2	122.3034	5.401	13951	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6])	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	123.3310	0.000	1	123.3310	0.000	1	123.3310	0.000	1	121.6624	3.047	5	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	121.6624	3.047	5	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	120.9580	1.964	3	120.9580	3.859	3	120.9580	3.859	3	121.6624	3.047	5	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	123.1989	0.738	22	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Cr){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	122.6800	0.288	2	122.9880	0.202	13	123.2721	0.650	21	123.1989	0.738	22	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Cr){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	123.0440	0.461	11	122.9880	0.202	13	123.2721	0.650	21	123.1989	0.738	22	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Fe<6>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Fe){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	123.2425	2.082	2	123.2425	4.337	2	123.2721	0.650	21	123.1989	0.738	22	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Ru){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	124.2690	0.615	4	123.8977	0.569	6	123.2721	0.650	21	123.1989	0.738	22	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Ru){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	123.1550	0.238	2	123.8977	0.569	6	123.2721	0.650	21	123.1989	0.738	22	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6a]C[6]Pt)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Pt<6>,1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6a]C[6]Pt)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|H<1>,6|C<3>}	126.1925	1.070	2	126.1925	1.145	2	126.1925	1.145	2	126.1925	1.145	2	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	123.1259	2.022	30	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6,6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6,6]C[3x6]C[6,6])	C[6a,6a](C[6a]C[6a,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6,6]C[3x6]C[6,6]){1|C<2>,1|C<4>,2|H<1>,8|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C[6a])(C[6a]C[6a,6a]2){10|C<3>,1|H<1>}	119.5565	0.807	2	119.5565	0.651	2	119.5565	0.651	2	119.5565	0.651	2	119.5565	0.651	2	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(N[6a]C[6a,6a]){1|P<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP){2|H<1>,6|C<3>}	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	125.0840	0.000	1	125.0840	0.000	1	125.0840	0.000	1	123.0515	8.262	2	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|N<2>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6])2{1|H<1>,6|C<3>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	123.0515	8.262	2	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	121.4990	0.000	1	121.4990	0.000	1	121.4990	0.000	1	121.3278	3.814	5	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]N[6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]2)(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]N[6]2){1|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]2)(N[6]N[6]C)(N[6]N[6]){7|C<3>}	119.6295	1.015	2	119.6295	1.030	2	119.6295	1.030	2	121.3278	3.814	5	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<3>,5|C<3>}	121.6700	0.000	1	121.6700	0.000	1	121.6700	0.000	1	121.3278	3.814	5	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,6|C<3>}	124.2110	0.000	1	124.2110	0.000	1	124.2110	0.000	1	121.3278	3.814	5	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6,6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]N[6,6]C[6])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]N[6,6]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	122.3740	0.119	2	122.3740	0.014	2	122.3740	0.014	2	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Pd)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Pd){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	123.3080	0.000	1	123.3080	0.000	1	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	125.1118	0.100	4	125.1118	0.010	4	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	126.7950	0.000	1	126.7950	0.000	1	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	126.1270	0.000	1	126.6805	0.613	2	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	127.2340	0.000	1	126.6805	0.613	2	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|Pt<4>,1|H<1>,4|C<3>}	126.3100	0.000	1	125.6210	0.949	2	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	124.9320	0.000	1	125.6210	0.949	2	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ru)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ru){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	124.3420	0.000	1	124.3420	0.000	1	125.4086	1.274	11	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	108.7305	1.141	44	108.7305	1.303	44	108.7305	1.303	44	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]C[6]){1|Pt<4>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	125.5937	0.912	3	126.1124	0.993	7	126.1124	0.993	7	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]C[6]){1|Pt<5>,1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	126.5015	0.980	4	126.1124	0.993	7	126.1124	0.993	7	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	117.6980	0.000	1	117.6980	0.000	1	119.5383	2.611	3	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	120.4585	0.377	2	120.4585	0.142	2	119.5383	2.611	3	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C){1|N<2>,2|H<1>,6|C<3>}	121.0920	0.000	1	121.0920	0.000	1	121.0920	0.000	1	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Si)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|Si<4>,1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Si){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	123.9230	0.000	1	123.9230	0.000	1	121.9024	3.203	5	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])2{4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	122.5835	0.349	2	122.5835	0.122	2	121.9024	3.203	5	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	119.2220	0.000	1	119.2220	0.000	1	121.9024	3.203	5	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	121.2000	0.000	1	121.2000	0.000	1	121.9024	3.203	5	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,7|C<3>}	118.3560	0.000	1	118.3560	0.000	1	120.5919	1.344	9	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H){1|O<1>,2|H<1>,6|C<3>}	122.7060	0.000	1	122.7060	0.000	1	120.5919	1.344	9	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C){2|H<1>,8|C<3>}	121.0360	0.000	1	121.0360	0.000	1	120.5919	1.344	9	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	120.0930	0.000	1	120.5382	0.214	6	120.5919	1.344	9	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	120.6272	0.456	5	120.5382	0.214	6	120.5919	1.344	9	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){2|H<1>,7|C<3>}	118.0750	0.000	1	118.0750	0.000	1	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I){1|O<1>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|I<1>,2|H<1>,6|C<3>}	118.1470	0.000	1	118.1470	0.000	1	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N){1|Cu<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu){1|N<3>,2|H<1>,6|C<3>}	117.9015	0.556	2	117.9015	0.310	2	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	125.4420	0.000	1	125.4420	0.000	1	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|O<2>,2|H<1>,6|C<3>}	119.6290	0.000	1	119.6290	0.000	1	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|Zn<4>,1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn){1|O<2>,2|H<1>,6|C<3>}	120.5645	0.937	2	120.5645	0.878	2	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P){1|Pd<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|C<4>,1|H<1>,1|N<2>,1|P<4>,5|C<3>}	120.3063	0.093	3	119.7340	0.636	6	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P){1|Pd<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|P<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|P<4>,2|H<1>,6|C<3>}	119.1617	0.774	3	119.7340	0.636	6	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]Pd){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){2|H<1>,6|C<3>}	124.3315	0.971	2	124.3315	0.943	2	120.3307	5.856	16	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,5|C<3>}	120.5860	0.000	1	120.5860	0.000	1	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cu<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	120.5200	0.000	1	120.5200	0.000	1	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	119.9660	0.000	1	119.9660	0.000	1	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Pd)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Pd){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	124.1430	0.000	2	124.6667	0.717	7	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Pd)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Pd){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	124.8762	0.940	5	124.6667	0.717	7	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|C<4>,5|C<3>}	126.5570	0.653	2	126.5570	0.427	2	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	124.4397	0.649	3	125.2738	1.568	5	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	126.5250	0.458	2	125.2738	1.568	5	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]O){1|Al<4>,1|Si<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	120.6540	0.485	2	120.6540	0.235	2	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	126.3420	0.000	2	125.6923	0.646	4	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,5|C<3>}	124.6890	0.000	1	125.6923	0.646	4	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pd){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	125.3960	0.000	1	125.6923	0.646	4	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Pt)(C[6]C[6]H){1|C<4>,5|C<3>}	126.0520	0.000	1	126.0520	0.000	1	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])2	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])2{2|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	124.9850	1.599	3	124.9850	2.558	3	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ru)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ru){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<9>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	125.6630	0.000	1	125.6630	0.000	1	124.4275	4.491	28	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	119.8225	0.965	4	119.6702	0.488	13	119.6702	0.488	13	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	119.7310	0.575	4	119.6702	0.488	13	119.6702	0.488	13	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	119.6350	0.464	2	119.6702	0.488	13	119.6702	0.488	13	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	119.4265	1.241	2	119.6702	0.488	13	119.6702	0.488	13	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	119.3750	0.000	1	119.6702	0.488	13	119.6702	0.488	13	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6a]N[6])	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6a]N[6]){2|H<1>,9|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|H<1>,1|N<3>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H){2|H<1>,7|C<3>}	122.3790	0.000	1	122.3790	0.000	1	119.0095	22.707	2	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6a]N[6])	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6a]N[6]){2|H<1>,9|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H){2|H<1>,7|C<3>}	115.6400	0.000	1	115.6400	0.000	1	119.0095	22.707	2	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,1|H<1>,5|C<3>}	119.8788	1.042	15	119.8788	1.085	15	119.7715	0.816	21	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]2){4|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.4370	0.306	4	119.5032	0.103	6	119.7715	0.816	21	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]2)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]2){4|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2{1|N<3>,6|C<3>}	119.6355	0.428	2	119.5032	0.103	6	119.7715	0.816	21	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6])	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]2)(N[6]C[6,6a]Cu)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6]){1|Cu<4>,3|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]2)(N[6]C[6,6a]Cu)(C[6]C[6]H){1|H<1>,6|C<3>}	119.4253	0.437	4	119.4253	0.191	4	119.4253	0.191	4	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	121.6500	0.192	2	121.7163	0.032	3	121.4843	0.237	4	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.8490	0.000	1	121.7163	0.032	3	121.4843	0.237	4	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(C[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|I<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|I<1>,2|H<1>,4|C<3>}	120.7880	0.000	1	120.7880	0.000	1	121.4843	0.237	4	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Ir)(C[6]C[6]N[6])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Ir)(C[6]C[6]N[6]){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	120.9020	0.000	1	120.9020	0.000	1	122.0820	2.785	2	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Pt)(C[6]C[6]N[6])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]Pt)(C[6]C[6]N[6]){2|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.2620	0.000	1	123.2620	0.000	1	122.0820	2.785	2	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6]){2|C<4>,4|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	117.4245	0.179	2	117.4245	0.032	2	117.4245	0.032	2	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	124.1577	1.029	3	124.1577	1.058	3	122.9798	2.094	18	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,5|C<3>}	121.0180	1.039	2	121.0180	1.080	2	122.9798	2.094	18	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	122.7595	2.401	2	122.7595	5.763	2	122.9798	2.094	18	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])2	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])2{4|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	123.4826	0.669	8	123.4826	0.447	8	122.9798	2.094	18	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	121.9160	1.750	3	121.9160	3.063	3	122.9798	2.094	18	118.9594	37.393	192	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|Ti<9>,1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	120.9235	0.226	2	120.9235	0.051	2	120.9235	0.051	2	120.9235	0.051	2	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|C<3>,4|H<1>}	122.2570	0.000	1	122.2570	0.000	1	121.3640	1.595	2	121.3640	1.595	2	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	120.4710	0.000	1	120.4710	0.000	1	121.3640	1.595	2	121.3640	1.595	2	119.1196	35.596	205	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:N[3x6]-3:C[6a]-3:	C[6a](C[6,6]C[5,6,6]N[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]N[3x6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	121.1480	2.555	2	121.1480	6.530	2	121.1480	6.530	2	121.1572	1.476	6	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[3x6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6,6](P[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.1617	0.532	4	121.1617	0.283	4	121.1617	0.283	4	121.1572	1.476	6	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	120.8590	2.032	2	121.3500	1.950	18	121.2903	1.906	20	121.1630	1.710	24	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	121.6357	1.531	10	121.3500	1.950	18	121.2903	1.906	20	121.1630	1.710	24	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	121.1855	1.250	4	121.3500	1.950	18	121.2903	1.906	20	121.1630	1.710	24	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){1|Se<3>,3|H<1>,7|C<3>}	120.7415	1.040	2	121.3500	1.950	18	121.2903	1.906	20	121.1630	1.710	24	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]S[5])(C[3x6]C[5,6,6]2H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	120.7535	1.552	2	120.7535	2.409	2	121.2903	1.906	20	121.1630	1.710	24	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,2|H<1>,7|C<3>}	120.5125	0.176	2	120.5125	0.031	2	120.5125	0.031	2	121.1630	1.710	24	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:P[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[6,6]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]2){1|P<4>,3|H<1>,7|C<3>}	120.5395	1.070	2	120.5395	1.145	2	120.5395	1.145	2	121.1630	1.710	24	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:2:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6,6,6a]-4:N[6,6]-2:C[6a]-3:	C[6a](C[6,6]B[6,6,6a]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2)	C[6a](C[6,6]B[6,6,6a]N[6,6])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(N[6,6]B[6,6,6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	121.0440	0.962	2	121.0440	0.925	2	121.0440	0.925	2	120.6963	1.713	9	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:2:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:N[6,6]-2:C[6a]-3:	C[6a](C[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	120.6175	1.225	2	120.6175	1.502	2	120.6175	1.502	2	120.6963	1.713	9	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:2:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4x6]-4:N[6,6]-2:C[6a]-3:	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	119.0910	0.000	1	119.0910	0.000	1	120.5888	2.741	5	120.6963	1.713	9	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:2:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4x6]-4:N[6,6]-2:C[6a]-3:	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	120.9633	1.649	4	120.9633	2.720	4	120.5888	2.741	5	120.6963	1.713	9	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[4,3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[4,3x6]C[6,6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]F)(F)	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2)	C[6a](C[6,6]C[4,3x6]C[6,6])(C[6a]C[6a]F)2{1|C<3>,3|C<4>,4|F<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>,4|F<1>}	121.5930	1.079	2	121.5930	1.164	2	121.5930	1.164	2	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[5,6,6]-3:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[3x6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(C[6a]C[6a]2){1|Se<3>,4|H<1>,6|C<3>}	120.6115	0.425	2	120.6115	0.181	2	120.6115	0.181	2	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	121.0180	1.905	2	121.0180	3.629	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,6|H<1>}	121.2355	0.921	2	121.2355	0.849	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	120.7680	1.136	2	120.7680	1.290	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.6492	1.822	8	120.6492	3.320	8	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){1|Te<2>,2|H<1>,6|C<3>}	121.0390	0.011	2	121.0390	0.000	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	120.7360	1.478	2	120.7360	2.184	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.5618	1.761	12	120.5618	3.100	12	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	120.9355	2.647	2	120.9355	7.005	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|Ge<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	120.7210	0.935	2	120.7210	0.874	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	121.1358	0.631	8	121.1358	0.398	8	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[5,3x6]C[6a])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	120.7640	0.587	2	120.7640	0.344	2	120.8058	1.831	44	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[4x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[4x6])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[4x6]C[3x6,6a]C[6,6a]O[6,6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	121.1865	2.739	2	121.1865	7.500	2	121.1595	2.593	4	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4x6]-4:C[5,6,6]-3:C[6a]-3:	C[6a](C[6,6]C[5,6,6]C[4x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2)	C[6a](C[6,6]C[5,6,6]C[4x6])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[4x6]C[6,6,6a]C[6,6a]C[5x6])(C[5,6,6]C[5,3x6]Si[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,9|C<3>}	121.1325	0.527	2	121.1325	0.278	2	121.1595	2.593	4	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[4x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[4x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	120.7885	0.344	2	120.7410	0.230	4	120.7410	0.230	4	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[4x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[4x6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	120.6935	0.750	2	120.7410	0.230	4	120.7410	0.230	4	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[5,3x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6]C[5,3x6]C[6,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,9|C<3>}	121.2075	1.415	2	121.2075	2.002	2	121.2075	2.002	2	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[5x6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[5x6]C[6,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5x6]C[5,5x6]C[5x6]H)(C[6,6]C[5,4x6]H)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|H<1>,5|C<3>}	121.0959	1.016	8	121.0959	1.032	8	121.0959	1.032	8	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Fe)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Fe<8>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|C<4>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Fe)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	119.5215	0.267	2	119.5215	0.071	2	120.4236	1.054	14	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Se)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|Se<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Se)(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.5611	0.990	8	120.5611	0.980	8	120.4236	1.054	14	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](P[3x6]C[6,6,6a]C[6,6]W)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]H)2{1|C<4>,1|W<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]W)(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.5998	1.275	4	120.5998	1.625	4	120.4236	1.054	14	120.8072	1.473	80	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:1:	4:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](C[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){2|C<3>,3|C<4>,9|H<1>}	125.4770	0.000	1	125.4770	0.000	1	125.4770	0.000	1	125.4770	0.000	1	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	4:2:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[4x6]-4:N[6,6]-2:C[6a]-3:	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	C[6a](C[6,6]C[4x6]N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:2:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	119.9525	1.880	2	119.9525	3.535	2	119.9525	3.535	2	119.9525	3.535	2	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-3:C[3x6]-4:C[6a]-3:	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3)	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	C[6a](C[6,6]C[3x6]C[6,6])(C[6a]C[6a]C)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2){4|C<3>,4|C<4>,5|H<1>}	121.5155	1.795	2	121.5155	3.223	2	121.5155	3.223	2	121.5155	3.223	2	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:4:	4:3:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Fe)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]P[3x6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Fe<8>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](P[3x6]C[6,6,6a]C[6,6]Fe)(C[6,6]C[3x6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	120.0915	0.514	2	120.0915	0.264	2	120.0915	0.264	2	120.0915	0.264	2	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6,6]	3:3:3:	3:3:4:	4:4:3:	C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a](C[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHHP)	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	C[6a](C[6,6]C[6,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHHP){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){2|C<3>,3|C<4>,9|H<1>}	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	119.2210	0.000	1	120.9077	1.714	128	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	121.6765	0.035	2	121.6765	0.001	2	121.6765	0.001	2	121.6251	0.491	7	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](N[6a]C[6,6,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](N[6a]C[6,6,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]N[6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6000	0.000	1	122.6000	0.000	1	122.2043	0.118	3	121.6251	0.491	7	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0065	0.042	2	122.0065	0.002	2	122.2043	0.118	3	121.6251	0.491	7	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	2:3:3:	3:3:1:	3:3:3:	N[6a]-2:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C[6])(H){4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	120.7050	0.069	2	120.7050	0.005	2	120.7050	0.005	2	121.6251	0.491	7	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:2:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	121.9000	0.027	2	121.9000	0.001	2	121.9000	0.001	2	121.9000	0.001	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:2:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	125.5425	0.535	2	125.5425	0.287	2	125.5425	0.287	2	124.7982	0.819	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:2:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Pt<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	124.6905	1.402	2	124.6905	1.966	2	124.6121	0.814	8	124.7982	0.819	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:2:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	124.5860	0.862	6	124.5860	0.743	6	124.6121	0.814	8	124.7982	0.819	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(N[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(N[6]N[6]){1|H<1>,5|C<3>}	120.8540	0.252	2	120.8540	0.063	2	120.0851	0.812	50	120.0851	0.812	50	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	120.0705	0.699	8	120.1369	0.330	12	120.0851	0.812	50	120.0851	0.812	50	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.2698	0.186	4	120.1369	0.330	12	120.0851	0.812	50	120.0851	0.812	50	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])2{1|H<1>,1|N<3>,4|C<3>}	119.9515	1.009	33	119.9515	1.018	33	120.0851	0.812	50	120.0851	0.812	50	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2{1|H<1>,2|C<4>,3|C<3>}	120.8815	0.139	2	120.8347	0.016	3	120.0851	0.812	50	120.0851	0.812	50	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6])2{1|H<1>,5|C<3>}	120.7410	0.000	1	120.8347	0.016	3	120.0851	0.812	50	120.0851	0.812	50	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	121.0090	0.112	2	121.0090	0.012	2	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	121.6085	0.120	2	121.6763	0.045	7	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	121.7034	0.245	5	121.6763	0.045	7	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	119.2160	0.000	1	119.2160	0.000	1	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	120.7835	0.432	2	120.7515	0.302	6	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	121.0055	0.523	2	120.7515	0.302	6	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	120.4655	0.869	2	120.7515	0.302	6	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	121.3685	0.486	2	121.3685	0.236	2	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	120.4220	0.000	1	120.4220	0.000	1	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	120.2210	0.000	1	120.2210	0.000	1	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6]){2|H<1>,3|C<3>}	121.3888	0.318	6	121.3888	0.101	6	121.1227	0.441	26	121.1431	0.435	27	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	121.8570	0.000	1	121.8570	0.000	1	121.8570	0.000	1	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	121.6810	0.126	2	121.6810	0.016	2	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	121.6504	0.446	8	121.6504	0.199	8	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	122.2685	0.635	13	122.2685	0.403	13	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	119.3400	0.000	1	119.3400	0.000	1	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	121.4492	0.504	5	121.7463	0.998	25	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	121.9735	0.567	6	121.7463	0.998	25	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,2|C<3>,3|N<3>}	121.4330	0.588	2	121.7463	0.998	25	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	121.3213	1.567	7	121.7463	0.998	25	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	122.4912	0.563	5	121.7463	0.998	25	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	121.0670	0.000	1	121.0670	0.000	1	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]C)(H){3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	121.7440	0.000	1	121.7440	0.000	1	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,3|C<3>}	124.0210	0.000	1	123.7885	0.108	2	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	123.5560	0.000	1	123.7885	0.108	2	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	122.1665	0.996	2	122.7210	1.419	3	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	123.8300	0.000	1	122.7210	1.419	3	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)(H){3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	121.0530	0.000	1	121.0530	0.000	1	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	122.8165	0.459	2	122.8165	0.211	2	121.9371	0.949	59	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[6]N[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]C)2{1|H<1>,5|C<3>}	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	121.9151	0.944	61	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:O[6a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[5a,6a]I)(O[6a]C[6a])(C[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I)	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[5a,6a]I)(O[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	128.5180	0.000	1	128.5180	0.000	1	128.5180	0.000	1	128.5180	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(C[6]C[6]2){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,4|C<3>}	123.4700	0.000	1	123.4700	0.000	1	123.4700	0.000	1	124.4532	0.894	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	124.8540	0.000	1	124.7810	0.697	3	124.7810	0.697	3	124.4532	0.894	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	124.7445	1.177	2	124.7810	0.697	3	124.7810	0.697	3	124.4532	0.894	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:2:3:	3:3:4:	3:3:3:	C[6]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(CH3)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(N[6a]C[6,6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6,6a]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	120.2265	1.307	2	120.2265	1.709	2	120.2265	1.709	2	120.2265	1.709	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:2:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]C)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(COO){1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	124.8870	0.438	2	124.8870	0.192	2	124.8870	0.192	2	124.8870	0.192	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-2:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){2|H<1>,4|C<3>}	120.1660	0.000	1	120.1660	0.000	1	120.2580	0.017	2	120.2580	0.017	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-2:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	120.3500	0.000	1	120.3500	0.000	1	120.2580	0.017	2	120.2580	0.017	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]N[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]N[6]H){1|Pt<4>,1|H<1>,4|C<3>}	121.6410	0.000	1	121.6410	0.000	1	121.6410	0.000	1	118.9175	14.835	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-2:C[6]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(S[6]C[5,6])(C[6]S[6]H){1|H<1>,1|S<2>,3|C<3>}	116.1940	0.000	1	116.1940	0.000	1	116.1940	0.000	1	118.9175	14.835	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6])	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6]){1|Ru<6>,1|H<1>,6|C<3>}	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	120.2750	0.000	1	120.2796	0.276	8	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<6>,1|C<4>,1|H<1>,3|C<3>}	120.2803	0.568	7	120.2796	0.276	8	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	121.7510	0.000	1	121.8480	0.019	3	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	121.7850	0.000	1	121.8480	0.019	3	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	122.0080	0.000	1	121.8480	0.019	3	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Re<6>,1|H<1>,1|N<3>,5|C<3>}	121.2640	0.000	1	120.8195	0.395	2	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Ru<9>,1|H<1>,1|N<3>,5|C<3>}	120.3750	0.000	1	120.8195	0.395	2	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	120.8050	0.000	1	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Co<6>,1|H<1>,1|N<3>,5|C<3>}	121.1118	0.710	4	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	120.0710	1.276	3	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cu<5>,1|N<3>,2|H<1>,4|C<3>}	119.2790	0.000	1	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Fe<6>,1|H<1>,1|N<3>,5|C<3>}	120.4004	0.647	5	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|H<1>,1|N<3>,5|C<3>}	120.7735	2.179	6	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|N<3>,2|H<1>,4|C<3>}	121.1500	0.000	1	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	121.4005	0.793	2	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	120.9760	0.000	1	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	120.5217	0.603	3	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<6>,1|N<3>,2|H<1>,4|C<3>}	121.5390	0.000	1	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Zn<5>,1|H<1>,1|N<3>,5|C<3>}	121.1240	0.703	4	120.7473	1.294	32	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,1|H<1>,6|C<3>}	116.9790	0.000	1	119.2907	4.011	3	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,1|N<2>,2|H<1>,4|C<3>}	120.4980	0.000	1	119.2907	4.011	3	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,2|H<1>,5|C<3>}	120.3950	0.000	1	119.2907	4.011	3	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.0560	0.919	2	122.0560	0.845	2	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]N[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]N[6]H)(N[6]C[6]){1|Ir<6>,2|H<1>,3|C<3>}	121.0370	0.000	1	121.0370	0.000	1	120.7128	1.331	51	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6]){1|H<1>,5|C<3>}	122.1185	0.598	2	122.1185	0.357	2	122.1185	0.357	2	120.7226	1.409	55	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	121.9000	0.000	1	121.7077	0.058	3	121.7077	0.058	3	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	121.6115	0.244	2	121.7077	0.058	3	121.7077	0.058	3	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	121.5690	0.579	10	121.5690	0.336	10	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){3|C<3>,3|H<1>}	119.8605	0.421	2	119.8605	0.177	2	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	121.6128	0.449	9	121.6128	0.202	9	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	122.6270	0.000	1	122.6270	0.000	1	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	122.5060	1.548	4	122.2421	0.953	15	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	122.9380	0.000	1	122.2421	0.953	15	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	122.2551	0.482	8	122.2421	0.953	15	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	121.3140	1.431	2	122.2421	0.953	15	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	122.8430	0.000	1	121.3667	0.904	7	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	121.1207	0.759	6	121.3667	0.904	7	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B){3|C<3>,3|H<1>}	124.5740	0.000	1	124.5740	0.000	1	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	120.9540	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	123.2830	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	122.0200	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	122.5680	0.000	2	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	121.8700	1.202	5	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	121.6920	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	122.4635	0.144	2	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	122.1870	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	121.5325	0.298	2	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	119.0780	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	123.4400	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|S<1>,4|C<3>}	121.6820	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	122.2240	0.311	2	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	122.0870	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	122.1307	0.930	31	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|N<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	120.8720	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	122.6840	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	122.3280	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	123.3130	0.734	2	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	122.6380	0.000	2	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	122.0370	1.616	2	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,4|C<3>}	120.0270	0.000	1	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	122.0213	1.026	21	122.0683	0.983	84	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	123.6060	2.082	2	124.9348	3.853	4	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){2|H<1>,4|C<3>}	126.5500	0.000	1	124.9348	3.853	4	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	125.9770	0.000	1	124.9348	3.853	4	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Cu){1|Cu<5>,1|H<1>,1|N<3>,5|C<3>}	121.1052	0.283	4	121.1052	0.080	4	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	121.7395	1.343	2	121.7395	1.803	2	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	122.4320	0.000	1	121.9727	0.818	3	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	121.7430	1.148	2	121.9727	0.818	3	122.0255	1.288	142	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|Rh<5>,1|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8490	0.000	1	122.8490	0.000	1	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,4|C<3>}	125.9550	0.000	1	125.9550	0.000	1	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Zn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0300	1.766	2	122.0300	3.120	2	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|As<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H){3|C<3>,3|H<1>}	125.8210	0.000	1	125.8210	0.000	1	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	121.6650	0.000	1	122.7925	2.543	2	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9200	0.000	1	122.7925	2.543	2	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|In<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H){3|C<3>,3|H<1>}	121.0730	0.000	1	121.0730	0.000	1	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	120.4155	2.084	2	121.3465	13.525	4	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	122.2775	5.724	2	121.3465	13.525	4	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	121.0200	0.000	1	121.2035	0.067	2	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	121.3870	0.000	1	121.2035	0.067	2	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	121.1390	0.000	1	121.1390	0.000	1	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	121.8020	0.000	1	121.6245	0.063	2	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	121.4470	0.000	1	121.6245	0.063	2	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	118.9245	0.196	2	119.7682	1.035	4	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pt<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	120.6120	0.468	2	119.7682	1.035	4	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	117.8360	0.000	1	120.4267	1.359	16	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	119.9655	0.517	2	120.4267	1.359	16	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	120.7459	0.844	7	120.4267	1.359	16	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	120.6398	1.243	6	120.4267	1.359	16	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Rh<5>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	121.8260	0.000	1	121.8260	0.000	1	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	120.4200	0.000	1	121.0170	0.330	3	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	121.0660	0.000	1	121.0170	0.330	3	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	121.5650	0.000	1	121.0170	0.330	3	121.1781	3.559	41	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]Ga[5])(C[6a]C[6a]N[6a])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	123.3050	0.939	2	123.3050	0.882	2	123.3050	0.882	2	121.8492	1.883	188	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-4:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(S[6]N[6]OO){2|H<1>,4|C<3>}	121.3520	0.000	1	121.3520	0.000	1	121.3520	0.000	1	121.3520	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]CH)(N[6]N[6]){2|C<3>,2|C<4>,3|H<1>}	121.3160	0.472	2	121.3160	0.223	2	121.4790	0.191	3	121.4790	0.191	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]RuH)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ru<9>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]RuH)(N[6]C[6]){1|Ru<9>,1|C<4>,2|C<3>,3|H<1>}	121.8050	0.000	1	121.8050	0.000	1	121.4790	0.191	3	121.4790	0.191	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	126.2250	0.000	1	126.2250	0.000	1	126.2250	0.000	1	128.2000	7.801	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6]-3:C[6]-2:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	130.1750	0.000	1	130.1750	0.000	1	130.1750	0.000	1	128.2000	7.801	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(OOs)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)(N[6a]C[6a]){1|Os<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(OOs){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	127.9380	0.000	1	127.9380	0.000	1	127.9380	0.000	1	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	126.4190	0.000	1	126.0157	0.341	4	126.0157	0.341	4	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	125.8813	0.634	3	126.0157	0.341	4	126.0157	0.341	4	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	125.8928	0.466	8	125.8928	0.217	8	125.7057	0.256	12	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	125.3315	0.389	4	125.3315	0.152	4	125.7057	0.256	12	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	124.6600	0.324	2	124.6600	0.105	2	127.6997	8.168	11	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	130.4645	0.239	4	128.3752	7.373	9	127.6997	8.168	11	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6a]C[6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	126.7038	2.617	5	128.3752	7.373	9	127.6997	8.168	11	126.6131	4.132	28	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CC[6a]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a]){1|Br<1>,1|Rh<8>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	126.5330	0.000	1	126.5330	0.000	1	126.5330	0.000	1	124.7420	1.636	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	124.6310	0.000	1	124.6310	0.000	1	124.6310	0.000	1	124.7420	1.636	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NFeC)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]N)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NFeC){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	124.7420	1.636	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt)	C[6a](C[6a]C[6a]C[5])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(C[5]N[5]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	124.2750	0.000	1	124.2750	0.000	1	124.2750	0.000	1	124.7420	1.636	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:2:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	124.2070	0.000	1	124.2070	0.000	1	124.2070	0.000	1	124.2070	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]N[6]2){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	121.2110	0.000	1	121.2110	0.000	1	121.2110	0.000	1	124.5197	8.271	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]N[6a]Ir)(C[6a]N[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6a](C[6a]N[6a]Ir)(C[6a]N[6a]H)(C[6]N[6]2){3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<4>,1|N<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|C<3>,2|N<2>,3|H<1>}	126.1740	0.349	2	126.1740	0.122	2	126.1740	0.122	2	124.5197	8.271	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	126.6868	0.189	4	126.4557	1.420	23	126.5023	1.410	24	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	126.3370	0.206	2	126.4557	1.420	23	126.5023	1.410	24	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	126.7395	0.197	2	126.4557	1.420	23	126.5023	1.410	24	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	126.2942	1.532	13	126.4557	1.420	23	126.5023	1.410	24	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]F){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Ir<7>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	126.8775	1.329	2	126.4557	1.420	23	126.5023	1.410	24	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]N[6a]F)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]N[6a]F){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	127.5740	0.000	1	127.5740	0.000	1	126.5023	1.410	24	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,2|C<4>,2|H<1>,5|C<3>}	119.4665	1.050	2	119.4665	1.103	2	119.4665	1.103	2	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	125.7835	0.640	2	125.7835	0.410	2	125.7835	0.410	2	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl){2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<2>,3|H<1>,5|C<3>}	124.5670	0.000	1	124.5670	0.000	1	124.5670	0.000	1	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]O[6a]O)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	117.0090	0.000	1	117.0090	0.000	1	117.0090	0.000	1	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Ir)(C[6]C[6]N[6])(C[6a]O[6a]O)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]Ir)(C[6]C[6]N[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.8015	0.752	2	120.8015	0.565	2	120.8015	0.565	2	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]N[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]N[6a]H)2(C[6]C[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	122.0765	0.861	2	122.0765	0.741	2	122.0765	0.741	2	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|N<2>,2|C<3>,3|H<1>}	121.7825	0.040	2	121.7825	0.002	2	120.9787	1.331	13	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|N<2>,3|C<3>,3|H<1>}	118.9960	0.711	2	118.9960	0.506	2	120.9787	1.331	13	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.0656	0.806	7	121.0656	0.650	7	120.9787	1.331	13	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]N[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]N[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,2|N<2>,3|H<1>}	121.8535	0.911	2	121.8535	0.831	2	120.9787	1.331	13	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]C[6]2){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H){1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	119.3590	0.000	1	119.3590	0.000	1	119.3590	0.000	1	123.8743	9.904	48	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	126.2970	0.000	1	126.5165	0.496	11	126.7282	0.902	14	125.5723	5.801	18	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	126.9000	0.857	5	126.5165	0.496	11	126.7282	0.902	14	125.5723	5.801	18	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	126.1768	0.408	5	126.5165	0.496	11	126.7282	0.902	14	125.5723	5.801	18	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]N[6a]Ir)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(OC){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	127.5047	1.494	3	127.5047	2.233	3	126.7282	0.902	14	125.5723	5.801	18	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O){2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(OC){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|O<2>,3|H<1>,5|C<3>}	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	125.5723	5.801	18	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]S)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]S){2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(SC){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	121.3953	1.117	3	121.3953	1.249	3	121.3953	1.249	3	125.5723	5.801	18	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]C)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]N[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CH3){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	126.8440	0.000	1	126.8440	0.000	1	126.8440	0.000	1	126.8440	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	2:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-2:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.7770	2.041	2	121.7770	4.164	2	121.7770	4.164	2	120.6891	2.675	14	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	2:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[6]-2:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](O[6]Ga[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Ga<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]Ga[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	120.9365	2.096	4	120.9365	4.394	4	120.5249	3.074	10	120.6891	2.675	14	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	2:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[6]-2:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Si<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,2|O<2>,3|C<3>}	119.9835	1.330	2	120.2505	2.671	6	120.5249	3.074	10	120.6891	2.675	14	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	2:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	O[6]-2:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Si<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<2>,2|H<1>,2|O<2>,4|C<3>}	120.3840	1.947	4	120.2505	2.671	6	120.5249	3.074	10	120.6891	2.675	14	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	2:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Se[6]-2:C[6a]-3:C[6]-3:	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se){2|H<1>,5|C<3>}	120.4220	0.396	2	120.4220	0.157	2	120.4220	0.157	2	120.6891	2.675	14	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-2:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.6475	0.040	2	120.6475	0.002	2	120.6475	0.002	2	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	121.5730	0.000	1	121.5730	0.000	1	120.7155	1.471	2	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	119.8580	0.000	1	119.8580	0.000	1	120.7155	1.471	2	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	121.0084	0.558	43	121.0084	0.312	43	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6]){1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.6230	0.894	4	120.3881	0.526	8	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6,6]){1|F<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.1532	0.531	4	120.3881	0.526	8	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.5245	0.373	2	120.6348	0.437	13	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.0780	0.721	4	120.6348	0.437	13	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.4131	0.631	7	120.6348	0.437	13	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	120.3365	1.469	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	120.6025	1.242	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	120.7315	0.824	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	120.3905	1.071	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	120.3765	2.276	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	120.3730	1.306	3	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.6020	1.522	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	120.2705	1.421	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	120.0740	0.597	6	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.2890	1.952	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	120.2477	1.549	10	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	120.5035	1.989	2	120.3309	1.410	37	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	120.6850	0.949	2	120.7154	1.621	16	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.2615	1.379	4	120.7154	1.621	16	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	120.6035	2.500	2	120.7154	1.621	16	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	120.3245	0.972	4	120.7154	1.621	16	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	120.7785	2.266	2	120.7154	1.621	16	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.4840	1.245	2	120.7154	1.621	16	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.2670	0.535	2	120.3165	0.500	10	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	120.2725	0.108	2	120.3165	0.500	10	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.2775	1.979	2	120.3165	0.500	10	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	120.3828	0.290	4	120.3165	0.500	10	120.6423	0.894	127	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:S[6]-2:	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.5030	2.080	2	120.5155	2.505	4	120.5155	2.505	4	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:S[6]-2:	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	C[6a](C[6]N[6]S[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.5280	1.785	2	120.5155	2.505	4	120.5155	2.505	4	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:N[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	121.6610	0.000	1	121.6610	0.000	1	120.6979	1.397	15	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:N[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.0643	0.908	4	120.5975	1.750	10	120.6979	1.397	15	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:N[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	120.2863	1.538	6	120.5975	1.750	10	120.6979	1.397	15	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:N[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.9560	0.874	2	120.9560	0.764	2	120.6979	1.397	15	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:N[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]Si[6])(N[6]N[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]Si[6])(N[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	120.4600	1.329	2	120.4600	1.767	2	120.6979	1.397	15	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se[6]-2:N[6]-2:	C[6a](C[6]Se[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6])	C[6a](C[6]Se[6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.8135	1.630	4	120.8135	2.657	4	120.8135	2.657	4	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	115.3300	0.000	1	115.3300	0.000	1	115.3300	0.000	1	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6])2{1|H<1>,6|C<3>}	118.9750	0.000	1	118.9750	0.000	1	118.9750	0.000	1	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6a]C[6a,6a]H)(C[6]N[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6a](C[6a]C[6a,6a]H)(C[6]N[6]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.7880	0.000	1	120.7880	0.000	1	120.7880	0.000	1	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:O[6]-2:	C[6a](C[6a]C[6a,6a]H)(C[6]N[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6])	C[6a](C[6a]C[6a,6a]H)(C[6]N[6]O[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	123.8700	0.000	1	123.8700	0.000	1	123.8700	0.000	1	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:O[6]-2:O[6]-2:	C[6a](C[6a]C[6a]F)2(C[6]O[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(O[6]B[6,6])2	C[6a](C[6a]C[6a]F)2(C[6]O[6]2){1|C<3>,2|B<4>,2|F<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]B[6,6])2{2|F<1>,3|O<2>,4|C<3>}	121.3345	0.546	4	121.3345	0.298	4	121.3345	0.298	4	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	119.3140	0.000	1	119.3140	0.000	1	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|H<1>,1|P<3>,2|C<4>,3|C<3>}	117.3090	0.000	1	117.3090	0.000	1	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]N[6]2){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	120.7420	0.000	1	120.7420	0.000	1	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	119.7263	0.543	3	119.7263	0.294	3	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]S[6,6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,2|S<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]S[6,6])2{2|C<3>,2|H<1>,3|N<2>}	120.1010	0.000	1	120.1010	0.000	1	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6,6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6,6]){2|H<1>,5|C<3>}	120.4930	0.523	2	120.4930	0.274	2	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	121.0423	0.673	3	120.5778	0.726	45	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	120.5441	0.855	38	120.5778	0.726	45	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	120.5505	1.046	4	120.5778	0.726	45	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6]){1|N<3>,2|H<1>,3|C<3>}	120.1240	1.493	4	120.1240	2.229	4	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	119.8415	0.894	2	120.3172	0.365	26	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.6095	0.643	4	120.3172	0.365	26	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.0072	0.495	4	120.3172	0.365	26	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	120.0810	0.199	2	120.3172	0.365	26	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.3741	0.796	8	120.3172	0.365	26	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|Cr<9>,1|N<2>,2|H<1>,3|C<3>}	120.4950	0.343	3	120.3172	0.365	26	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	120.4860	0.271	3	120.3172	0.365	26	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|H<1>,3|C<3>}	121.0215	0.215	4	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{2|C<3>,2|H<1>,3|N<3>}	120.8650	0.000	1	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	120.5405	0.169	2	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	120.7636	0.748	8	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|C<2>,2|H<1>,4|C<3>}	120.1360	0.126	2	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	120.5192	0.338	4	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	120.5550	0.990	2	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	120.2848	1.070	12	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{2|C<3>,2|H<1>,3|N<3>}	120.0361	1.034	8	120.4490	0.708	43	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|C<4>,2|H<1>,3|C<3>}	120.8150	0.136	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|N<2>,2|H<1>,3|C<3>}	120.4760	1.000	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|H<1>,4|C<3>}	120.7790	0.945	4	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|C<4>,2|C<3>,3|H<1>}	121.0035	2.442	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|C<4>,2|H<1>,3|C<3>}	120.2630	1.496	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|C<4>,2|H<1>,4|C<3>}	120.7465	0.057	4	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|B<4>,2|H<1>,4|C<3>}	120.4370	0.482	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|H<1>,5|C<3>}	120.8010	0.129	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|B<4>,2|H<1>,4|C<3>}	120.9251	0.516	9	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|C<4>,2|H<1>,3|C<3>}	121.1140	0.668	4	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|H<1>,5|C<3>}	120.6430	0.112	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|C<4>,2|H<1>,3|C<3>}	120.3785	0.672	4	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|H<1>,5|C<3>}	121.0023	2.478	4	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|B<4>,2|H<1>,4|C<3>}	120.8174	0.526	10	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|C<4>,2|H<1>,3|C<3>}	120.7460	0.452	4	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|B<4>,2|H<1>,4|C<3>}	120.7775	0.200	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|C<4>,2|H<1>,3|C<3>}	120.1017	0.576	4	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|C<4>,2|H<1>,3|C<3>}	120.5360	0.113	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|B<4>,2|H<1>,4|C<3>}	122.5465	0.383	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|C<4>,2|H<1>,3|C<3>}	120.7305	0.039	2	120.7830	0.743	69	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]P[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,2|P<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]P[6])2{3|Cl<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.8925	0.783	2	119.8925	0.613	2	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]S[6,6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,2|S<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]S[6,6])2{2|C<3>,2|H<1>,3|N<2>}	120.3180	0.000	1	120.3180	0.000	1	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	121.0260	0.004	2	121.0260	0.000	2	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(N[6]C[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{2|C<3>,2|H<1>,3|N<3>}	119.2570	0.000	1	119.2570	0.000	1	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,2|H<1>,4|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|B<4>,2|H<1>,4|C<3>}	118.2795	0.196	2	119.0470	0.799	4	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,2|H<1>,4|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{2|C<4>,2|H<1>,3|C<3>}	119.8145	0.062	2	119.0470	0.799	4	120.5015	0.801	206	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:O[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]B[6,6])2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]B[6,6])2{2|H<1>,3|O<2>,4|C<3>}	120.0630	0.698	4	119.8907	0.327	8	119.8626	0.503	10	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:O[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]B[6,6])2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]B[6,6])2{2|H<1>,3|O<2>,4|C<3>}	119.7185	0.444	4	119.8907	0.327	8	119.8626	0.503	10	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:O[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]B[6])2	C[6a](C[6a]C[6a]H)2(C[6]O[6]2){1|C<3>,2|B<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]B[6])2{1|O<3>,2|H<1>,6|C<3>}	119.7500	1.484	2	119.7500	2.201	2	119.8626	0.503	10	120.5415	0.983	379	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	122.7290	0.000	1	122.7290	0.000	1	122.7290	0.000	1	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.9325	1.974	2	120.9325	3.895	2	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	120.4600	1.585	2	120.4600	2.513	2	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	120.3863	1.602	4	120.3863	2.566	4	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	120.1450	1.465	2	120.1450	2.147	2	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	120.3005	0.651	2	120.3005	0.424	2	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C){3|H<1>,4|C<3>}	120.7312	1.369	6	120.7312	1.875	6	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]S[6]N)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]S[6]N){2|H<1>,4|C<3>}	121.1280	4.254	2	121.1280	18.096	2	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C){2|H<1>,4|C<3>}	119.7910	1.988	2	119.7910	3.954	2	120.5203	2.427	22	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	119.1340	0.000	1	119.1340	0.000	1	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.5270	0.000	1	118.5300	0.000	2	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	118.5330	0.000	1	118.5300	0.000	2	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	119.0830	0.000	1	119.4277	0.128	3	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,3|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.6000	0.277	2	119.4277	0.128	3	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ga<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){1|H<1>,3|C<3>,6|O<2>}	121.1567	0.092	3	121.1567	0.008	3	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	118.8220	0.000	1	118.8220	0.000	1	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	120.6123	1.609	4	120.6123	2.589	4	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.8620	1.759	2	120.7227	1.093	4	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]H){1|N<3>,1|W<6>,2|H<1>,3|C<3>}	120.5835	0.327	2	120.7227	1.093	4	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.5340	0.668	4	120.5340	0.446	4	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	120.3970	2.063	2	120.3970	4.257	2	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	120.7445	0.120	2	121.0263	0.191	24	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	121.4485	0.125	2	121.0263	0.191	24	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	120.8567	0.363	4	121.0263	0.191	24	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,5|C<3>}	121.1751	0.500	8	121.0263	0.191	24	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	121.3895	0.614	2	121.0263	0.191	24	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	120.8495	0.158	2	121.0263	0.191	24	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,5|C<3>}	120.7350	0.335	4	121.0263	0.191	24	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	121.3197	1.095	16	121.3197	1.198	16	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Ga<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){2|H<1>,3|C<3>,5|O<2>}	122.4847	0.507	3	122.4847	0.257	3	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]In[4x6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|In<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]In[4x6])(C[6]C[6]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|N<3>}	121.0567	2.176	4	121.0567	4.733	4	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]Si[5,6])(C[6]N[6]C)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]Si[5,6])(C[6]N[6]C){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	121.0920	1.382	2	121.0920	1.909	2	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Ga<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){2|H<1>,3|C<3>,5|O<2>}	117.7570	0.575	3	117.7570	0.331	3	120.7621	1.634	76	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-2:C[6]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	120.7425	0.791	2	120.7425	0.626	2	120.7425	0.626	2	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]Er)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2){1|Er<14>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|N<4>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]Er){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	118.4470	0.000	2	118.4470	0.000	2	120.2225	2.213	14	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){2|H<1>,6|C<3>}	120.1355	0.931	4	120.2343	1.944	6	120.2225	2.213	14	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){3|H<1>,5|C<3>}	120.4320	2.646	2	120.2343	1.944	6	120.2225	2.213	14	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){4|C<3>,4|H<1>}	120.7485	0.176	4	120.8025	2.146	6	120.2225	2.213	14	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	120.9105	3.256	2	120.8025	2.146	6	120.2225	2.213	14	120.6669	1.852	115	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|Cl<1>,1|H<1>,4|C<3>}	124.3575	1.124	2	124.3575	1.262	2	124.3575	1.262	2	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|F<1>,1|H<1>,4|C<3>}	122.6633	0.487	6	122.6633	0.237	6	122.6633	0.237	6	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|Cl<1>,1|H<1>,4|C<3>}	118.7180	0.655	2	118.7180	0.429	2	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|F<1>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){1|F<1>,1|H<1>,4|C<3>}	121.1297	0.319	6	121.1297	0.102	6	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	120.9705	3.029	2	120.9705	9.172	2	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH){2|H<1>,4|C<3>}	121.0695	1.777	2	121.0695	3.158	2	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	120.9463	0.504	6	120.9982	0.778	36	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	120.9698	1.124	8	120.9982	0.778	36	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	121.3178	1.213	4	120.9982	0.778	36	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	120.8107	0.467	6	120.9982	0.778	36	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	121.2130	1.019	4	120.9982	0.778	36	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	121.1693	0.856	4	120.9982	0.778	36	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-2:C[6]-4:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]HH){2|H<1>,4|C<3>}	120.7090	1.294	4	120.9982	0.778	36	120.9215	1.080	48	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-2:C[6]-4:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH){1|S<4>,2|H<1>,4|C<3>}	121.2395	1.872	2	121.2395	3.503	2	121.2395	3.503	2	121.2311	1.634	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.7570	0.000	1	120.7570	0.000	1	120.5345	0.099	2	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.3120	0.000	1	120.3120	0.000	1	120.5345	0.099	2	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Cl)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	121.8480	0.150	2	121.8480	0.022	2	121.8480	0.022	2	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|Cl<1>,1|H<1>,1|S<1>,4|C<3>}	124.4680	0.000	1	124.4680	0.000	1	124.4680	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	120.8766	1.172	21	120.8766	1.374	21	120.8766	1.374	21	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.9120	0.000	1	120.9120	0.000	1	120.9120	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	124.4075	0.026	2	124.4075	0.001	2	123.0853	2.470	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]F)2{1|B<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|O<2>,2|C<3>,2|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,3|C<3>,4|F<1>}	121.7630	0.645	2	121.7630	0.416	2	123.0853	2.470	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]F)2{1|B<4>,1|C<4>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	120.6336	0.973	24	120.6336	0.946	24	120.6336	0.946	24	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]F)2{1|B<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|N<3>,1|O<2>,2|F<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<1>,2|F<1>,6|C<3>}	120.7955	0.875	4	120.7955	0.765	4	120.7955	0.765	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[3x6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[3x6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]){1|Ir<6>,3|C<3>,3|C<4>,3|H<1>}	120.6077	1.396	6	120.6077	1.948	6	120.6077	1.948	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[5,6]S[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a])	C[6a](C[6]C[5,6]S[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a]){1|C<4>,1|H<1>,7|C<3>}	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,3|H<1>,5|C<3>}	120.0950	4.029	2	120.0950	16.234	2	120.6187	4.399	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.0430	2.128	2	121.0430	4.530	2	120.6187	4.399	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	120.7180	0.549	2	120.7180	0.301	2	120.6187	4.399	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[5a,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[5a,6]O[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	120.6485	0.371	2	120.6485	0.138	2	120.5092	0.100	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[5a,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[5a,6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	120.3700	0.288	2	120.3700	0.083	2	120.5092	0.100	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:P[6]-2:	C[6a](C[6]C[5a,6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(P[6]C[5a,6])	C[6a](C[6]C[5a,6]P[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(P[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	120.7290	1.121	2	120.7290	1.258	2	120.7290	1.258	2	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|B<4>,3|H<1>,5|C<3>}	120.3277	2.462	4	120.3277	6.062	4	120.3277	6.062	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	120.8855	0.241	2	120.8855	0.058	2	120.5196	1.044	14	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	120.5630	2.201	2	120.5630	4.842	2	120.5196	1.044	14	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.1360	1.539	2	120.2045	0.933	4	120.5196	1.044	14	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	120.2730	0.643	2	120.2045	0.933	4	120.5196	1.044	14	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,7|C<3>}	120.7990	0.432	4	120.7990	0.187	4	120.5196	1.044	14	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,1|S<4>,4|C<3>,4|H<1>}	120.1815	2.026	2	120.1815	4.104	2	120.5196	1.044	14	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	116.9730	0.000	1	116.9730	0.000	1	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	117.9070	0.000	1	117.9070	0.000	1	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	120.2765	0.476	4	120.5503	2.097	26	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	120.8040	1.864	4	120.5503	2.097	26	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	120.5505	1.244	6	120.5503	2.097	26	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,4|H<1>,5|C<3>}	120.4105	2.218	2	120.5503	2.097	26	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	120.6670	2.434	4	120.5503	2.097	26	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	120.5322	1.432	6	120.5503	2.097	26	120.3281	2.623	28	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6,6a]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	120.3053	1.070	4	120.3053	1.145	4	120.3053	1.145	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[4]C[6])(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4]C[6])(C[6a]C[6a]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	120.2335	1.218	2	120.2335	1.484	2	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.7995	1.517	2	120.7995	2.301	2	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,3|H<1>,4|C<3>}	120.5022	1.071	12	120.5022	1.146	12	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|Ir<6>,2|H<1>,6|C<3>}	120.5148	0.771	12	120.4958	0.572	18	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|Ir<6>,2|H<1>,6|C<3>}	120.5155	0.715	4	120.4958	0.572	18	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	120.3425	1.261	2	120.4958	0.572	18	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	120.4890	1.748	2	120.2433	1.948	42	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,3|H<1>,4|C<3>}	120.2110	1.751	2	120.2433	1.948	42	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	120.4305	1.988	2	120.2433	1.948	42	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	120.0973	1.446	26	120.2433	1.948	42	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|Ir<6>,3|H<1>,5|C<3>}	120.0010	0.553	2	120.2433	1.948	42	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	120.7073	2.028	4	120.2433	1.948	42	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|Ir<6>,1|C<4>,2|H<1>,5|C<3>}	120.6497	0.909	4	120.2433	1.948	42	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Cu<4>,2|H<1>,5|C<3>}	120.3035	1.613	8	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Cu<5>,2|H<1>,5|C<3>}	120.7595	2.181	2	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Mn<6>,2|H<1>,5|C<3>}	120.7108	1.041	4	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Mo<9>,2|H<1>,5|C<3>}	120.1965	0.508	2	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Ni<6>,2|H<1>,5|C<3>}	120.5010	1.635	8	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Pt<4>,2|H<1>,5|C<3>}	120.4415	3.316	2	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Ru<6>,2|H<1>,5|C<3>}	120.2055	0.797	2	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|Sn<5>,2|H<1>,5|C<3>}	120.3985	0.093	2	120.4427	1.991	30	120.3823	1.576	106	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|Cl<1>,1|H<1>,1|S<1>,4|C<3>}	117.9990	0.000	1	117.9990	0.000	1	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|H<1>,2|O<2>,5|C<3>}	118.9793	0.487	3	118.9793	0.237	3	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|O<2>,5|C<3>}	118.2310	0.000	1	118.2310	0.000	1	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|H<1>,2|O<2>,5|C<3>}	118.9850	0.000	1	118.9850	0.000	1	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,1|N<3>,2|C<3>,2|F<1>,2|O<2>}	117.7320	0.000	1	118.2500	0.537	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,3|O<2>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,1|N<3>,2|C<3>,2|F<1>,2|O<2>}	118.7680	0.000	1	118.2500	0.537	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	119.3090	0.000	1	119.3090	0.000	1	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,1|N<3>,2|C<3>,2|F<1>,2|O<2>}	117.3770	0.000	1	117.3770	0.000	1	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|S<2>,5|C<3>}	119.4345	0.384	2	119.4345	0.147	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<6>,1|O<1>,2|C<3>,2|H<1>,4|B<6>}	120.6230	1.025	2	120.6230	1.051	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3,5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.8615	0.456	2	120.8615	0.208	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	121.0795	1.510	2	121.0795	2.279	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.4700	1.988	2	120.4700	3.954	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	121.7405	2.074	2	121.1081	4.653	10	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,6|C<3>}	121.3645	2.452	2	121.1081	4.653	10	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	120.6255	2.974	4	121.1081	4.653	10	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,6|C<3>}	121.1845	1.780	2	121.1081	4.653	10	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	119.9760	0.000	1	120.8555	1.274	11	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	121.0070	2.087	2	120.8555	1.274	11	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	120.8065	1.743	2	120.8555	1.274	11	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	121.0410	1.076	4	120.8555	1.274	11	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	120.8215	0.951	2	120.8555	1.274	11	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	120.8510	0.840	2	120.7455	0.329	18	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.7885	0.537	12	120.7455	0.329	18	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.5637	0.717	4	120.7455	0.329	18	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	120.2165	2.230	2	120.1213	1.920	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]S)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	120.0260	0.867	2	120.1213	1.920	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,7|C<3>}	120.6020	0.841	4	120.6020	0.707	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.7845	0.883	2	121.7845	0.780	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	121.4590	1.687	2	121.1727	1.780	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	121.5125	2.098	2	121.1727	1.780	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	120.5465	0.687	2	121.1727	1.780	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	121.3440	4.479	2	120.8695	7.451	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	120.6322	2.347	4	120.8695	7.451	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.8000	1.980	8	120.8531	5.389	10	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,7|C<3>}	121.0655	4.577	2	120.8531	5.389	10	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.2700	0.000	1	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.6225	1.559	2	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	120.5870	2.595	2	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.6040	1.085	4	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	120.8250	1.940	2	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.3327	1.182	18	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	121.8015	0.852	4	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.9899	0.910	8	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	121.1720	1.549	2	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	120.7265	1.065	24	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	120.7952	1.705	4	120.9695	1.340	71	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.9040	0.327	6	120.8528	0.280	12	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	120.8017	0.709	6	120.8528	0.280	12	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<3>,3|C<4>,3|H<1>}	121.2090	0.868	2	121.0699	1.091	16	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	120.9140	1.523	2	121.0699	1.091	16	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.0850	1.703	4	121.0699	1.091	16	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.0480	0.863	4	121.0699	1.091	16	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	121.1030	0.151	2	121.0699	1.091	16	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	121.0670	1.500	2	121.0699	1.091	16	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6]){2|C<4>,3|C<3>,4|H<1>}	120.3740	3.017	2	120.2616	3.861	8	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6]){2|C<4>,3|C<3>,4|H<1>}	120.1125	3.993	2	120.2616	3.861	8	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]S)(C[6a]C[6a]2)(O[6]C[6,6]){2|C<4>,3|C<3>,4|H<1>}	120.2800	0.798	4	120.2616	3.861	8	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Au<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	120.4355	0.279	2	120.3810	0.683	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Au<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Au)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	120.3265	1.399	2	120.3810	0.683	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){2|H<1>,5|C<3>}	120.9595	1.532	2	120.9595	2.348	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.5640	0.634	2	120.7577	1.203	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){4|C<3>,4|H<1>}	121.0255	2.245	2	120.7577	1.203	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	120.6835	0.586	2	120.7577	1.203	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a]){2|H<1>,7|C<3>}	120.7403	1.402	4	120.7403	1.966	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,8|C<3>}	120.4755	3.334	2	120.4868	3.826	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	120.4980	0.601	2	120.4868	3.826	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]P[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]P[6]){1|O<1>,2|H<1>,7|C<3>}	121.1200	0.283	2	121.1200	0.080	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.5575	0.421	2	121.2605	0.178	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.9635	0.060	2	121.2605	0.178	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){4|C<3>,4|H<1>}	120.3980	0.665	3	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,5|C<3>}	120.9695	1.190	2	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.8816	0.335	8	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	121.2345	0.670	8	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	120.4285	0.326	2	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	121.3180	0.139	2	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	121.1855	0.897	4	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.6217	0.573	4	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	120.6425	0.565	4	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	120.8900	0.127	2	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,4|C<3>}	120.6975	1.149	2	120.8910	0.387	41	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]P[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]P[6]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.0745	0.284	2	121.0745	0.080	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[5,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[5,6]){1|O<2>,2|H<1>,5|C<3>}	120.9710	1.041	4	120.9710	1.084	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){4|C<3>,4|H<1>}	121.4265	2.548	2	120.5359	1.759	8	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	120.2220	0.051	2	120.5359	1.759	8	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.1545	0.872	2	120.5359	1.759	8	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]I)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	120.3405	1.706	2	120.5359	1.759	8	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,3|H<1>,4|C<3>}	120.6825	4.306	2	120.5705	9.843	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|O<2>,2|H<1>,7|C<3>}	120.5145	3.196	4	120.5705	9.843	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[3,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[3,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	120.3700	1.624	2	120.3700	2.636	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[5,6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	120.5440	0.533	2	120.5440	0.284	2	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	120.6075	0.021	2	120.5427	2.584	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	120.2800	3.094	2	120.5427	2.584	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	120.7405	1.767	2	120.5427	2.584	6	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6]){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	120.2835	0.141	2	120.3635	0.209	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6]){2|O<1>,3|H<1>,5|C<3>}	120.4435	0.763	2	120.3635	0.209	4	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	121.6057	0.912	3	121.2558	0.692	5	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	120.7310	0.431	2	121.2558	0.692	5	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	120.8640	0.000	1	120.8640	0.000	1	120.7674	1.694	306	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	120.6340	0.021	2	120.6340	0.000	2	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]I)(C[6a]C[6a]2)(S[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	120.3885	0.856	2	120.3885	0.733	2	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	120.4150	1.191	2	120.4150	1.418	2	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6]){2|H<1>,7|C<3>}	120.9707	1.134	4	120.8555	1.304	6	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6]){2|H<1>,7|C<3>}	120.6250	1.581	2	120.8555	1.304	6	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]C[6]){1|S<1>,2|H<1>,4|C<3>}	121.7775	1.460	2	121.7775	2.132	2	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(S[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	121.4327	0.840	6	121.4327	0.705	6	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5,6]){1|S<2>,2|H<1>,5|C<3>}	120.4675	1.755	8	120.4675	3.080	8	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]S[6])(C[6a]C[6a]2)(S[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	121.0547	0.867	4	121.0547	0.752	4	120.8787	1.423	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|Mn<8>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.1050	0.000	1	117.1050	0.000	1	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	119.3372	1.207	21	119.3372	1.457	21	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|N<3>,3|H<1>}	121.8480	0.000	1	121.8480	0.000	1	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.9355	2.856	2	120.7366	2.081	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.3305	1.850	2	120.7366	2.081	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	120.8485	0.558	2	120.7366	2.081	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	120.8320	1.491	2	120.7366	2.081	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.6470	0.317	2	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.0465	2.296	2	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.3505	2.976	2	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	120.3400	0.892	2	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){2|H<1>,2|N<3>,3|C<3>}	120.8150	1.358	2	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	121.7320	3.282	2	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	120.8600	0.622	4	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	120.8305	1.952	2	120.8313	2.079	18	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6]){1|Re<6>,3|C<3>,3|H<1>}	120.7310	0.553	2	120.9818	0.226	4	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.2325	0.349	2	120.9818	0.226	4	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	120.9045	2.217	2	120.9535	1.939	4	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	121.0025	0.945	2	120.9535	1.939	4	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]N[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.7884	1.075	8	120.7884	1.156	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|Ir<4>,2|H<1>,4|C<3>}	120.4762	2.790	4	120.4996	5.709	12	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|Rh<4>,2|H<1>,4|C<3>}	120.5113	2.374	8	120.4996	5.709	12	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6]){1|N<3>,3|C<3>,3|H<1>}	121.0168	3.579	4	120.7758	10.021	6	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6]){3|C<3>,4|H<1>}	120.2940	3.314	2	120.7758	10.021	6	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	120.4442	1.869	4	120.4761	2.493	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	120.4335	2.331	2	120.4761	2.493	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	120.5825	1.228	2	120.4761	2.493	8	120.3780	2.997	91	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.7480	0.000	1	120.7480	0.000	1	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.5080	0.000	1	120.5080	0.000	1	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	117.8520	0.150	2	117.8520	0.022	2	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	117.8730	0.000	1	117.8730	0.000	1	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	117.1450	0.000	1	117.1450	0.000	1	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.5480	0.000	1	120.5480	0.000	1	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	119.9880	0.113	2	119.9880	0.013	2	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	120.2735	0.422	2	120.2735	0.178	2	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	120.5050	0.000	1	120.5050	0.000	1	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	119.7998	0.934	8	119.7998	0.872	8	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]B)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]B)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	119.9403	1.158	4	119.9403	1.342	4	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	120.7050	0.000	1	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.3895	0.620	4	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.4260	2.297	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.1155	2.647	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	120.4703	1.118	14	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){3|H<1>,5|C<3>}	120.7308	0.935	4	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.3670	0.243	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.2133	0.889	8	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.5720	0.530	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	119.9455	0.848	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.4315	1.935	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|H<1>,5|C<3>}	120.0365	1.937	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.3980	0.318	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.0760	1.427	4	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	121.0465	0.540	2	120.3860	1.075	53	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	121.2723	0.592	11	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.4822	2.251	4	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.3405	0.780	4	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,2|H<1>,5|C<3>}	120.6060	1.772	2	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.6863	1.251	18	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	120.3180	1.461	2	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.6520	0.508	4	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.8025	2.173	2	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	121.4497	1.444	12	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.5951	1.149	16	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	120.7705	1.788	2	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.9916	1.094	14	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	120.9982	1.181	8	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	121.2810	0.857	2	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,2|H<1>,5|C<3>}	120.1445	2.160	2	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	120.4595	1.177	2	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.5544	1.105	18	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	120.5187	1.419	4	120.8020	1.403	127	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.7963	0.632	6	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.8255	0.695	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.2485	0.506	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.6980	0.318	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	120.6825	0.221	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.9720	0.527	6	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	121.1945	1.083	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.9165	0.972	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.8715	1.220	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|N<3>,3|C<3>,3|H<1>}	120.6180	0.359	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	121.0485	0.434	4	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	120.7705	0.436	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	120.8670	1.073	6	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	120.4260	0.853	2	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	120.5229	0.310	8	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	120.5409	0.666	59	120.6661	0.425	109	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]P[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]P[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	120.7635	0.777	2	120.7635	0.604	2	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.6650	3.564	2	120.6650	12.701	2	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]In)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|In<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]In)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	119.8970	1.071	2	119.8970	1.146	2	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(O[6]B[6]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.5730	2.780	2	120.5730	7.730	2	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	120.7820	1.250	2	121.0966	1.395	8	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	121.2145	1.469	4	121.0966	1.395	8	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	121.1755	1.211	2	121.0966	1.395	8	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.1150	0.055	2	120.9293	0.806	6	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	120.7255	0.698	2	120.9293	0.806	6	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	120.9475	1.841	2	120.9293	0.806	6	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	119.3680	1.355	2	118.9492	0.354	13	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	118.8730	0.447	11	118.9492	0.354	13	120.5492	1.204	348	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:P[6]-2:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6])	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	120.6740	1.525	2	120.8120	0.642	6	120.8120	0.642	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:P[6]-2:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6])	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]){2|H<1>,5|C<3>}	120.8810	0.526	4	120.8120	0.642	6	120.8120	0.642	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.5635	0.080	2	120.7435	0.525	6	120.7990	0.754	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	120.8335	0.917	4	120.7435	0.525	6	120.7990	0.754	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	120.6605	0.800	4	120.7382	0.822	24	120.7990	0.754	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	120.6134	1.056	14	120.7382	0.822	24	120.7990	0.754	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	120.9175	0.364	2	120.7382	0.822	24	120.7990	0.754	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){2|H<1>,5|C<3>}	121.1628	0.666	4	120.7382	0.822	24	120.7990	0.754	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6])	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	121.6955	0.339	2	121.6955	0.115	2	120.7990	0.754	32	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:Se[6]-2:	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){1|C<2>,2|H<1>,5|C<3>}	121.2205	0.295	2	120.8102	0.748	6	120.8102	0.748	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:Se[6]-2:	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6])	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(Se[6]C[6]){2|H<1>,6|C<3>}	120.6050	1.025	4	120.8102	0.748	6	120.8102	0.748	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]){3|C<3>,3|H<1>}	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:N[6]-2:	C[6a](C[6]N[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]C)(N[6]P[6])	C[6a](C[6]N[6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|P<3>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]C)(N[6]P[6]){1|C<4>,1|N<2>,1|W<6>,2|H<1>,3|C<3>}	120.8840	2.636	4	120.8840	6.950	4	120.8840	6.950	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]N[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]N[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	120.2175	1.126	2	120.2175	1.269	2	120.3908	0.832	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:N[6]-2:	C[6a](C[6]N[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]N[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(N[6]C[6,6a]){2|O<1>,3|H<1>,6|C<3>}	120.4775	0.967	4	120.4775	0.934	4	120.3908	0.832	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]N[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]N[6,6a]N[6])(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6]){2|H<1>,3|C<3>,5|N<3>}	120.5380	0.960	2	120.5380	0.922	2	120.5380	0.922	2	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-2:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6])	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Co)(C[6a]C[6a]H){1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|Co<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6]){3|C<3>,3|H<1>}	123.8770	0.000	1	123.8770	0.000	1	123.8770	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	118.4350	0.000	1	118.4350	0.000	1	118.4350	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){1|C<2>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<3>,5|C<3>}	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,6|C<3>}	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6a]C[5,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.3840	0.000	1	120.3840	0.000	1	120.3840	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	120.5050	0.545	3	120.4323	0.631	6	120.4323	0.631	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.3597	1.125	3	120.4323	0.631	6	120.4323	0.631	6	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	119.9895	0.081	2	119.9895	0.007	2	119.9895	0.007	2	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6a]C[5,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	119.4570	0.000	1	119.4570	0.000	1	119.9511	0.785	9	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	119.7793	0.878	3	119.8713	1.093	6	119.9511	0.785	9	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	119.9633	1.392	3	119.8713	1.093	6	119.9511	0.785	9	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.4375	0.234	2	120.4375	0.055	2	119.9511	0.785	9	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C[6])(H){1|C<2>,1|H<1>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Ir)(C[6]N[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Ir)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|H<1>,2|C<4>,3|C<3>}	122.4050	0.519	2	122.4050	0.269	2	122.4050	0.269	2	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|Cl<1>,2|H<1>,5|C<3>}	126.2630	0.600	2	126.2630	0.360	2	125.4483	2.171	3	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	123.8190	0.000	1	123.8190	0.000	1	125.4483	2.171	3	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]F)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|C<3>,1|F<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|F<1>,2|H<1>,3|C<3>}	125.3925	0.473	4	125.3925	0.224	4	125.3925	0.224	4	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-2:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	120.0310	0.000	1	120.0310	0.000	1	120.9056	0.894	5	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]){1|Ir<6>,2|H<1>,4|C<3>}	121.1243	0.934	4	121.1243	0.873	4	120.9056	0.894	5	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.6015	4.570	2	120.6015	20.885	2	120.5733	4.974	7	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	121.2155	0.373	4	121.2155	0.139	4	120.5733	4.974	7	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,2|C<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Te<2>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|Te<2>,1|H<1>,3|C<3>}	117.9480	0.000	1	117.9480	0.000	1	120.5733	4.974	7	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(N[6]C[6])	C[6a](C[6a]C[6a]Au)(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	121.4190	0.293	2	121.4190	0.086	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|Cl<1>,2|H<1>,5|C<3>}	116.7240	0.303	2	116.7240	0.092	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	118.1460	0.000	1	118.1460	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|O<2>,2|H<1>,5|C<3>}	117.7220	0.000	1	117.7220	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(N[6]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	116.9470	0.000	1	116.9470	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]Pd)(N[6]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2){1|Pd<4>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|P<4>}	C[6](C[6a]C[6a]2)(N[6]N[6]Pd)(N[6]N[6]){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	116.4410	0.000	1	116.4410	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]){1|S<4>,3|H<1>,4|C<3>}	117.4267	0.510	4	117.4267	0.260	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6]){2|H<1>,2|N<3>,4|C<3>}	120.9797	1.051	4	120.9797	1.105	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	120.6520	1.377	2	120.6520	1.897	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6]){1|C<4>,2|H<1>,5|C<3>}	120.0565	2.411	2	120.0565	5.811	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	119.9262	1.013	4	119.9262	1.027	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]){1|C<4>,3|C<3>,3|H<1>}	120.3545	0.634	2	120.3545	0.402	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	120.2035	0.111	2	120.2120	4.370	9	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	118.4850	0.000	1	120.2120	4.370	9	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	120.5027	2.508	6	120.2120	4.370	9	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6]){1|N<2>,2|H<1>,4|C<3>}	120.3272	1.177	4	120.3272	1.385	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){2|C<3>,2|H<1>,3|C<4>}	120.1325	0.658	2	120.4608	1.954	6	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,2|C<3>,4|H<1>}	120.7330	2.345	2	120.4608	1.954	6	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5170	1.863	2	120.4608	1.954	6	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	120.0665	1.358	4	120.0665	1.845	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.8535	0.863	2	120.5915	2.050	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.3295	2.265	2	120.5915	2.050	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	119.4990	0.000	1	119.4990	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){1|B<4>,2|H<1>,4|C<3>}	121.0485	0.760	2	120.5634	1.006	24	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	120.5935	0.070	2	120.5634	1.006	24	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	120.2145	0.322	2	120.5634	1.006	24	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){3|C<3>,3|H<1>}	120.5660	0.756	6	120.5634	1.006	24	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	120.5344	1.309	12	120.5634	1.006	24	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	120.3675	1.723	4	120.3675	2.968	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){2|H<1>,4|C<3>}	120.4788	1.688	6	120.4788	2.850	6	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6]){2|H<1>,3|C<3>}	120.4705	4.161	2	120.4705	17.317	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	120.1363	1.688	4	120.1957	2.241	6	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	120.3145	1.619	2	120.1957	2.241	6	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	122.4840	0.000	1	122.4840	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){3|C<3>,3|H<1>}	121.5820	1.776	2	121.5820	3.155	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	121.9510	0.000	1	121.9510	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[6]N[6]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){3|C<3>,3|H<1>}	118.8692	0.370	4	118.8692	0.137	4	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){3|C<3>,3|H<1>}	122.4525	0.134	2	122.4525	0.018	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6])	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|Ir<6>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(N[6]C[6]){3|C<3>,3|H<1>}	120.1445	0.841	2	120.1445	0.707	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6])	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Os<7>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	120.9210	0.000	1	122.0108	0.527	5	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6])	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Os<7>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	122.0570	0.016	2	122.0108	0.527	5	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6])	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Os<7>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	122.5095	0.646	2	122.0108	0.527	5	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6])	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|N<2>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6]){3|C<3>,3|H<1>}	123.7590	0.000	1	123.7590	0.000	1	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6])	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(C[6]N[6]2){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(N[6]C[6]){3|C<3>,3|H<1>}	129.0750	0.554	2	129.0750	0.307	2	120.4252	4.081	116	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	119.9420	0.000	1	119.9420	0.000	1	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	119.8540	0.471	2	119.8540	0.222	2	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	120.9995	2.587	2	120.7149	3.318	18	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	120.8755	1.312	2	120.7149	3.318	18	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	120.7651	1.923	10	120.7149	3.318	18	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){1|O<1>,2|H<1>,4|C<3>}	120.3670	2.160	4	120.7149	3.318	18	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	121.6605	3.287	2	121.6605	10.807	2	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	119.2440	1.407	2	120.4775	1.707	12	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	120.9095	1.194	4	120.4775	1.707	12	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	121.1495	2.422	2	120.4775	1.707	12	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	120.3263	0.790	4	120.4775	1.707	12	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,6|C<3>}	120.8658	0.523	4	120.5679	3.446	28	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|P<4>,3|H<1>,6|C<3>}	120.9400	2.915	2	120.5679	3.446	28	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<2>,3|H<1>,6|C<3>}	120.5175	0.972	4	120.5679	3.446	28	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,3|H<1>,6|C<3>}	120.5900	1.480	4	120.5679	3.446	28	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,7|C<3>}	120.5925	2.254	2	120.5679	3.446	28	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<2>,2|H<1>,6|C<3>}	120.5265	2.797	8	120.5679	3.446	28	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	120.1827	2.102	4	120.5679	3.446	28	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6]){1|N<3>,1|O<3>,2|H<1>,3|C<4>,4|C<3>}	120.2865	0.439	4	120.2865	0.193	4	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	120.3407	3.575	4	120.3407	12.779	4	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	120.3375	3.194	2	120.3375	10.202	2	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,1|N<2>,1|S<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	121.1500	0.755	4	121.1500	0.570	4	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])2(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|B<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	121.2780	1.399	2	121.2780	1.956	2	120.6052	3.067	79	120.6253	2.096	1307	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	121.7670	0.034	2	121.7670	0.001	2	121.7670	0.001	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|C<3>,5|C<4>}	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	122.8367	0.301	6	122.3291	1.003	8	122.1010	1.035	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	120.8065	0.622	2	122.3291	1.003	8	122.1010	1.035	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|S<2>,2|C<4>,6|C<3>}	121.1885	0.456	2	121.1885	0.208	2	122.1010	1.035	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Rh)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	129.0790	0.000	1	129.0790	0.000	1	129.0790	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	117.4960	0.000	1	117.4960	0.000	1	117.4960	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	117.7030	0.000	1	117.7030	0.000	1	117.7030	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.7070	0.092	2	118.8137	0.085	13	118.5253	0.407	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	118.8331	0.313	11	118.8137	0.085	13	118.5253	0.407	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Fe<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	118.7745	0.820	2	118.7745	0.672	2	118.5253	0.407	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	117.6977	0.801	4	117.8175	0.450	6	118.5253	0.407	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	118.0570	0.389	2	117.8175	0.450	6	118.5253	0.407	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	120.4223	1.861	3	120.4223	3.463	3	120.4223	3.463	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6,6a]H)(C[6a]C[6a]Ir)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6,6a]H)(C[6a]C[6a]Ir){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|S<4>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	127.4360	0.000	1	127.4360	0.000	1	127.4360	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){2|Br<1>,2|H<1>,5|C<3>}	121.8240	0.000	1	121.8240	0.000	1	121.4335	0.305	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Br)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(Br){2|Br<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){2|Br<1>,2|H<1>,5|C<3>}	121.0430	0.000	1	121.0430	0.000	1	121.4335	0.305	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	121.8720	0.000	1	121.8720	0.000	1	121.5520	0.686	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	121.4404	0.879	13	121.4404	0.773	13	121.5520	0.686	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(Cl){1|Cl<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|C<4>,6|C<3>}	122.1175	0.326	2	122.1175	0.106	2	121.5520	0.686	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]Cl)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	121.9615	0.569	2	121.9615	0.324	2	121.9615	0.324	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Ir)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Ir){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	127.4897	0.641	6	127.4897	0.411	6	127.4897	0.411	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Rh)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](N[6]C[6,6]Rh)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cl)(C[6a]C[6a]Rh){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Rh)(C[6a]C[6a]2)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	126.8680	0.000	1	126.8680	0.000	1	126.8680	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]B[6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](B[6]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]2)	C[6a](C[6]B[6]C[6])(C[6a]C[6a]F)2{1|Si<4>,1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|B<3>,2|C<3>,2|F<1>}	C[6](B[6]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]2){1|C<4>,2|F<1>,2|H<1>,5|C<3>}	122.1555	1.350	4	122.1555	1.823	4	122.1135	1.182	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]B[6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]B[6]C[6])(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|B<3>,2|C<3>,2|F<1>}	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|F<1>,9|C<3>}	122.0295	0.650	2	122.0295	0.422	2	122.1135	1.182	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	121.8475	2.808	2	121.8475	7.884	2	121.8475	7.884	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,1|H<1>,2|F<1>,7|C<3>}	121.9175	0.035	2	121.9332	0.970	51	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	122.0630	1.154	2	121.9332	0.970	51	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	121.6940	0.768	4	121.9332	0.970	51	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	122.0218	1.016	35	121.9332	0.970	51	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	121.4130	1.333	4	121.9332	0.970	51	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	121.8603	1.054	4	121.9332	0.970	51	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	122.3075	0.637	2	121.7494	1.066	46	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|F<1>,2|H<1>,6|C<3>}	121.3160	1.122	10	121.7494	1.066	46	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	121.7292	0.741	12	121.7494	1.066	46	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	122.0169	1.212	18	121.7494	1.066	46	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	121.1890	0.127	2	121.7494	1.066	46	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	121.6320	0.885	2	121.7494	1.066	46	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	122.2900	0.440	2	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	122.5260	0.000	1	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|F<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|F<1>,2|H<1>,6|C<3>}	121.7920	0.348	2	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|F<1>,1|S<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	121.6765	1.917	4	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	121.4634	1.027	5	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	121.8109	1.144	8	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	121.7480	0.645	6	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|F<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|F<1>,2|H<1>,6|C<3>}	121.5603	0.954	6	121.7368	1.007	34	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	122.5095	1.104	8	122.5095	1.218	8	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]F)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	122.7638	0.513	4	122.7638	0.263	4	121.8828	1.035	143	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]F)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,7|C<3>}	122.6575	0.651	2	122.6575	0.424	2	122.6575	0.424	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<7>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|F<1>,2|H<1>,5|C<3>}	126.8710	0.723	2	126.8710	0.522	2	129.9197	13.880	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|F<1>,2|H<1>,5|C<3>}	132.9685	1.985	2	132.9685	3.940	2	129.9197	13.880	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]F){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C){1|F<1>,2|H<1>,3|C<3>}	126.4910	0.000	1	126.4910	0.000	1	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Au<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	126.2410	0.000	1	126.2410	0.000	1	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]F){1|Ir<8>,1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	122.0200	0.000	1	122.0200	0.000	1	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.2210	0.687	2	125.4621	0.368	12	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	125.3963	0.568	3	125.4621	0.368	12	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.5591	0.675	7	125.4621	0.368	12	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	125.8225	0.842	2	125.7998	0.367	5	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	126.1235	0.261	2	125.7998	0.367	5	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|Ir<8>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.1070	0.000	1	125.7998	0.367	5	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	125.2430	1.253	2	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	130.7570	0.000	1	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<5>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.6460	0.000	1	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	125.9049	0.398	8	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	126.1391	0.619	10	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	125.4175	0.390	2	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,4|C<3>}	126.1058	0.470	12	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.8127	0.917	227	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<6>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	126.1453	1.021	4	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<7>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.8303	0.729	6	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Ir<8>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.9870	0.000	1	125.8564	0.850	274	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(F){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.8065	0.476	2	125.8065	0.226	2	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mg)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Mg)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mg)(C[6a]C[6a]F){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|Mg<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mg)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	122.9350	0.000	1	122.9350	0.000	1	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Os<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.2096	0.289	7	125.2096	0.084	7	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pd<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	124.3353	0.160	4	124.3353	0.026	4	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	127.8250	0.000	1	127.8250	0.000	1	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F){1|F<1>,2|H<1>,3|C<3>}	131.2870	0.382	2	131.2870	0.146	2	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	129.7310	0.228	2	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	130.5560	0.367	4	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	124.5366	0.416	8	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,1|H<1>,4|C<3>}	125.5820	1.493	2	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.7800	1.226	18	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|Pt<4>,1|F<1>,1|H<1>,3|C<3>}	127.6770	0.000	1	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<5>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.6560	0.000	1	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|Pt<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	125.7632	0.430	4	126.2392	4.105	40	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]F){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(F){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	126.8430	0.000	1	126.8430	0.000	1	125.8782	1.442	352	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(F)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]F){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(F){1|Ir<6>,1|F<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|F<1>,1|H<1>,4|C<3>}	126.5050	0.000	1	126.5050	0.000	1	126.5050	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[3x6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]Ir)	C[6a](C[6]C[3x6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	123.8033	0.438	3	123.8033	0.192	3	123.8033	0.192	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	121.1315	4.040	2	121.1315	16.319	2	120.7477	5.860	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2)	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2{2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])2(C[6a]C[6a]2){2|H<1>,2|N<2>,2|S<2>,3|C<3>}	120.3640	0.819	2	120.3640	0.670	2	120.7477	5.860	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.4820	1.025	2	120.4820	1.051	2	120.4820	1.051	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	120.5665	0.199	2	120.5665	0.039	2	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.0665	0.469	2	121.0665	0.220	2	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.5340	0.058	2	120.5340	0.003	2	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Pd<4>,2|H<1>,6|C<3>}	120.3070	1.344	6	120.3070	1.805	6	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.3380	0.591	2	120.3380	0.349	2	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	121.2255	0.797	4	121.2255	0.635	4	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	120.7421	0.572	10	120.7421	0.327	10	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Ir<8>,1|H<1>,6|C<3>}	115.8260	0.000	1	115.8260	0.000	1	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,6|C<3>}	117.0990	0.000	1	117.0990	0.000	1	120.4033	1.767	30	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:B[6]-3:	C[6a](C[6]C[5,6]B[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(B[6]C[6]Cl)	C[6a](C[6]C[5,6]B[6])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<3>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(B[6]C[6]Cl){1|B<3>,2|C<4>,4|H<1>,5|C<3>}	120.9280	1.187	2	120.9280	1.408	2	120.9280	1.408	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	119.1750	0.000	1	119.1750	0.000	1	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	116.6580	0.000	1	116.6580	0.000	1	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	119.3205	1.736	2	119.3205	3.014	2	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	120.1208	1.778	6	120.1208	3.162	6	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	120.8830	1.052	2	120.8830	1.107	2	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	120.9460	0.157	2	120.9460	0.025	2	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	120.4965	0.156	2	120.4965	0.024	2	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	121.1975	1.875	2	121.2825	2.670	8	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	121.5180	2.076	4	121.2825	2.670	8	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]H){1|Pt<4>,2|C<4>,3|C<3>,4|H<1>}	120.8965	1.310	2	121.2825	2.670	8	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.6555	0.818	2	120.6555	0.669	2	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.9890	1.027	2	120.9890	1.054	2	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	121.3743	0.842	4	121.3743	0.709	4	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	121.0155	0.510	2	121.0155	0.260	2	120.6155	2.188	34	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]Pt){2|C<4>,3|C<3>,4|H<1>}	126.8080	0.000	1	126.8080	0.000	1	126.8080	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	120.7318	1.474	4	120.7318	2.171	4	120.7318	2.171	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.5050	0.352	2	120.5050	0.124	2	120.6437	4.318	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	120.4540	2.329	2	120.7130	7.136	4	120.6437	4.318	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[5,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	120.9720	3.964	2	120.7130	7.136	4	120.6437	4.318	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	119.0020	0.000	1	119.0020	0.000	1	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	118.7880	0.000	1	118.7608	0.027	4	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	118.8670	0.000	2	118.7608	0.027	4	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	118.5210	0.000	1	118.7608	0.027	4	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|Cl<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	121.2110	0.000	1	121.2110	0.000	1	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	120.1210	0.000	1	120.1210	0.000	1	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	120.0150	2.206	2	120.0150	4.867	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	120.0613	0.675	3	120.0613	0.455	3	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	119.3647	0.411	3	119.3647	0.169	3	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	119.6390	0.000	1	120.2593	0.441	3	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	120.5695	0.552	2	120.2593	0.441	3	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	118.6230	0.000	1	118.6230	0.000	1	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,2|C<4>,2|H<1>,5|C<3>}	121.8910	1.864	2	121.8910	3.474	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|B<3>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	121.3655	2.293	2	121.3655	5.259	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|Br<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.6590	1.413	2	120.6590	1.996	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.3875	0.987	6	120.3875	0.973	6	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	117.9140	0.000	1	120.0595	2.047	4	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.7680	0.048	2	120.0595	2.047	4	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.7880	0.000	1	120.0595	2.047	4	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.0609	1.534	11	120.0609	2.352	11	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	120.2335	0.412	6	120.2335	0.170	6	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,1|N<3>,3|H<1>,6|C<3>}	120.6671	1.626	8	120.6435	1.707	12	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	120.4025	0.260	2	120.6435	1.707	12	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	120.7900	0.173	2	120.6435	1.707	12	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	120.4967	1.171	6	120.4967	1.371	6	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.8550	1.685	12	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.7287	0.689	6	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,4|H<1>,6|C<3>}	121.0830	1.036	4	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	121.8270	1.758	2	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.8530	2.102	2	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.7322	1.448	6	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.8755	1.276	62	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	120.8064	1.930	18	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	120.6660	0.841	2	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	120.2650	0.000	1	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,4|H<1>,6|C<3>}	120.7825	0.264	2	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<6>,4|H<1>,6|C<3>}	121.0568	2.923	4	120.8670	2.056	121	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	120.7078	0.651	8	120.7078	0.424	8	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|B<3>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.8940	1.689	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	121.4190	0.000	1	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	123.3220	0.000	1	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	121.2845	0.095	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.1530	0.000	1	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	121.2920	0.000	1	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.8990	0.000	1	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.9990	0.000	1	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|Si<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	121.9435	0.654	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.3670	1.414	4	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.4905	0.462	4	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.6367	1.110	12	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.3495	2.641	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	120.7335	0.172	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<1>,2|H<1>,6|C<3>}	120.3978	2.705	4	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.6216	0.912	16	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.9504	0.691	34	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	121.1220	2.234	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	120.0570	1.663	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.5987	0.483	4	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.9015	1.670	6	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.6121	1.161	8	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.4969	0.975	28	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	121.0744	0.951	20	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.8700	1.731	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.6222	1.238	34	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.9971	0.852	46	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	119.7900	1.410	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	120.1205	0.804	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.5460	1.957	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.3920	1.486	4	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.3935	1.212	34	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.5744	0.806	28	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Sb<3>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.3375	0.052	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Sb<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.1700	0.445	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	120.3435	0.067	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.4323	1.004	76	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,2|S<2>,6|C<3>}	119.9630	2.220	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	119.8315	0.992	2	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.5518	0.782	50	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	120.3586	1.670	5	120.6244	1.070	455	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	122.5700	0.000	1	120.2887	1.764	8	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	118.4960	0.000	1	120.2887	1.764	8	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{3|C<3>,4|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.2073	0.882	6	120.2887	1.764	8	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.2970	0.000	1	119.2970	0.000	1	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Pd)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Pd)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.7910	0.000	1	119.5170	0.150	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Pd)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Pd)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.2430	0.000	1	119.5170	0.150	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|Si<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	118.8530	0.812	2	118.8530	0.659	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	123.0440	0.000	1	121.1866	1.220	19	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.9642	1.184	12	121.1866	1.220	19	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,4|H<1>,6|C<3>}	121.3217	0.691	6	121.1866	1.220	19	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	119.7270	0.132	2	119.7270	0.017	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	118.4040	0.000	1	118.4040	0.000	1	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Si)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Si<4>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	117.1680	1.003	2	117.1680	1.005	2	120.6136	1.368	691	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.1393	1.050	4	120.1393	1.103	4	120.2010	1.079	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	120.3245	1.429	2	120.3245	2.042	2	120.2010	1.079	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.8675	0.495	4	120.8675	0.245	4	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	120.5225	1.300	2	120.5225	1.691	2	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	120.3435	1.088	2	120.3435	1.184	2	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.1645	0.938	2	120.1645	0.880	2	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	120.4885	0.825	2	120.4885	0.681	2	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	120.3090	0.733	2	120.3315	2.422	4	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.3540	2.594	2	120.3315	2.422	4	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.2613	0.963	4	120.2613	0.927	4	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.4638	1.214	4	120.4638	1.475	4	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.5010	0.426	2	120.5010	0.181	2	120.4514	0.837	26	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	120.6445	0.610	2	120.6445	0.372	2	120.7911	0.563	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	120.8600	1.384	4	120.8600	1.916	4	120.7911	0.563	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	120.8528	0.791	4	120.8528	0.625	4	120.7911	0.563	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	120.8165	1.039	2	120.8165	1.079	2	120.7911	0.563	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	120.8317	0.312	4	120.7445	0.080	6	120.7911	0.563	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	120.5700	0.126	2	120.7445	0.080	6	120.7911	0.563	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|O<2>,3|H<1>,4|C<3>}	124.1475	0.480	2	125.0392	0.732	5	124.7118	1.229	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|S<2>,3|H<1>,4|C<3>}	125.7000	0.143	2	125.0392	0.732	5	124.7118	1.229	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|O<2>,3|H<1>,4|C<3>}	125.5010	0.000	1	125.0392	0.732	5	124.7118	1.229	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]Rh)	C[6a](C[6]C[5a,6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]Rh){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.0750	0.000	1	123.0750	0.000	1	124.7118	1.229	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	120.3810	1.385	4	120.3810	1.917	4	120.3810	1.917	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	120.5200	1.144	2	120.5200	1.309	2	120.5200	1.309	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	120.7594	1.953	8	120.7594	3.814	8	120.7594	3.814	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	120.8840	0.404	2	120.8840	0.164	2	120.9852	1.089	32	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	121.3821	1.091	8	121.3821	1.191	8	120.9852	1.089	32	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	120.8501	1.060	22	120.8501	1.123	22	120.9852	1.089	32	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|C<4>,4|C<3>,4|H<1>}	120.9525	0.415	2	120.9525	0.172	2	120.6614	0.669	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	120.9085	1.879	2	120.9085	3.530	2	120.6614	0.669	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	120.3210	0.911	2	120.3210	0.829	2	120.6614	0.669	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,1|W<6>,2|H<1>,4|C<3>}	120.3090	0.485	2	120.3090	0.235	2	120.6614	0.669	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,5|C<3>}	120.8160	0.659	2	120.8160	0.434	2	120.6614	0.669	10	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.2840	0.000	1	119.2840	0.000	1	120.1207	0.997	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	120.5390	0.972	2	120.5390	0.944	2	120.1207	0.997	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|Ge<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	120.9250	0.424	2	120.6167	0.213	8	120.6167	0.213	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	120.2730	0.091	2	120.6167	0.213	8	120.6167	0.213	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	120.5205	0.742	2	120.6167	0.213	8	120.6167	0.213	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){2|C<4>,2|N<3>,4|C<3>,4|H<1>}	120.7485	0.521	2	120.6167	0.213	8	120.6167	0.213	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	120.8960	0.860	6	120.8846	0.901	8	121.0268	0.822	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	120.8505	1.614	2	120.8846	0.901	8	121.0268	0.822	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	121.6150	1.351	2	121.6150	1.824	2	121.0268	0.822	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	121.0075	0.235	2	121.0075	0.055	2	121.0268	0.822	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,6|C<3>}	116.7850	0.000	1	116.7850	0.000	1	120.2543	1.636	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	120.5780	0.000	1	120.5780	0.000	1	120.2543	1.636	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.2035	0.425	2	120.2035	0.181	2	120.2543	1.636	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	120.9080	0.004	2	120.9080	0.000	2	120.2543	1.636	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	120.9880	1.870	2	120.9880	3.495	2	120.2543	1.636	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	120.1522	0.536	4	120.3330	0.697	6	120.2543	1.636	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<2>,2|N<3>,4|C<3>,4|H<1>}	120.6945	1.493	2	120.3330	0.697	6	120.2543	1.636	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	116.5067	0.499	4	116.5067	0.249	4	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	117.6430	0.000	1	117.6430	0.000	1	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,2|O<2>,6|C<3>}	116.4420	0.000	1	116.8873	1.712	13	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	116.2925	1.158	4	116.8873	1.712	13	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	117.2404	1.409	8	116.8873	1.712	13	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	117.2260	0.000	1	117.2260	0.000	1	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|P<3>,3|H<1>,6|C<3>}	117.3765	0.501	2	117.3765	0.251	2	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<4>,3|H<1>,6|C<3>}	116.7065	1.108	2	116.7065	1.228	2	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.1850	0.000	1	119.1850	0.000	1	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	120.9600	0.000	1	120.4847	0.855	14	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Si<4>,4|H<1>,6|C<3>}	121.2575	0.377	2	120.4847	0.855	14	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	120.3004	1.010	10	120.4847	0.855	14	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	120.3070	0.000	1	120.4847	0.855	14	118.2781	4.017	38	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	120.9520	0.175	2	120.9520	0.031	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.3787	0.873	4	120.3787	0.762	4	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.8705	0.804	2	120.8705	0.646	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.5920	0.911	2	120.5920	0.829	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.5690	0.451	4	120.5690	0.204	4	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	120.4440	0.484	2	120.4440	0.234	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.5885	0.829	2	120.5885	0.688	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2){2|N<3>,3|H<1>,4|C<3>}	120.6040	0.501	2	120.6040	0.251	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|N<3>,3|H<1>,5|C<3>}	120.4800	3.451	2	120.4800	11.907	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	120.4625	1.907	2	120.4625	3.637	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	120.0900	0.047	2	120.0900	0.002	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|B<3>,3|H<1>,7|C<3>}	121.1355	0.381	2	121.1355	0.145	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	121.4130	2.536	2	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	120.9758	1.051	4	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	120.5050	0.894	2	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	120.5265	1.456	2	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	120.8560	0.525	2	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	120.7865	0.781	2	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	120.4925	0.329	2	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	120.4356	0.513	8	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	120.7780	0.136	2	120.6963	0.708	26	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.0410	1.578	2	120.0410	2.491	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	120.7705	0.334	2	120.7120	1.748	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	120.8980	2.831	2	120.7120	1.748	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.4675	0.644	2	120.7120	1.748	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.9783	1.755	4	120.9078	1.867	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.7670	0.201	2	120.9078	1.867	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	120.5470	0.397	2	120.5470	0.158	2	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.4808	1.242	6	120.4808	1.543	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.6655	1.010	2	120.4798	0.961	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.3870	1.108	4	120.4798	0.961	6	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.9170	1.155	4	120.9170	1.335	4	120.6356	0.941	86	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.1950	0.000	1	118.1950	0.000	1	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	118.8060	0.000	1	118.8060	0.000	1	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	120.8622	0.279	4	120.8622	0.078	4	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|O<1>,3|H<1>,5|C<3>}	120.2970	2.011	2	120.2970	4.044	2	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.8025	2.153	2	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	121.3880	3.166	2	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,7|C<3>}	121.0277	2.511	4	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	120.5897	1.263	6	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,7|C<3>}	120.5620	0.944	4	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.1900	0.635	2	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.0265	2.153	2	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|H<1>}	121.2495	1.490	2	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.0775	2.576	4	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	120.7978	1.036	6	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.9477	1.408	6	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	120.1915	0.889	2	120.7709	2.405	42	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	121.0675	1.204	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	121.0240	0.120	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|O<2>,4|C<3>,4|H<1>}	120.7315	1.037	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	120.9360	0.645	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	120.9135	2.295	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	120.7840	0.844	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	120.9505	2.047	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	120.3630	0.011	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	121.0077	1.017	6	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,5|H<1>}	120.8488	1.955	6	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	120.7340	0.341	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	120.7380	0.590	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<3>}	121.1245	1.169	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	120.9900	0.047	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|P<4>,3|H<1>,4|C<3>}	121.1895	0.101	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.6008	1.097	74	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	121.2920	2.160	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<1>,3|H<1>,4|C<3>}	120.7638	1.018	4	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	120.6792	1.445	6	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	120.5651	1.334	79	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|H<1>,5|C<3>}	121.2390	0.584	2	120.6611	1.423	205	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I){1|O<2>,4|C<3>,5|H<1>}	120.1570	1.376	2	120.1570	1.893	2	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|C<4>,4|C<3>,5|H<1>}	120.9020	1.363	2	120.8007	0.834	4	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|C<3>,5|H<1>}	120.6995	0.776	2	120.8007	0.834	4	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.5065	0.893	2	120.5065	0.798	2	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,3|H<1>,5|C<3>}	121.1875	1.476	2	121.0658	0.793	4	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,3|H<1>,5|C<3>}	120.9440	0.378	2	121.0658	0.793	4	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C){3|H<1>,5|C<3>}	120.8720	0.779	2	120.8720	0.607	2	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|Mo<6>,3|H<1>,5|C<3>}	120.7873	1.560	4	121.0241	1.151	8	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|C<4>,1|S<1>,3|H<1>,5|C<3>}	121.1875	0.383	2	121.0241	1.151	8	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|C<4>,1|S<1>,3|H<1>,5|C<3>}	121.3345	0.381	2	121.0241	1.151	8	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|Si<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H){3|C<4>,3|H<1>,4|C<3>}	120.7015	0.348	4	120.7015	0.121	4	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|H<1>,5|C<3>}	120.5475	1.092	2	120.5475	1.194	2	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	120.3520	0.210	4	120.3520	0.044	4	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	119.8995	0.080	2	119.8995	0.006	2	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){4|H<1>,5|C<3>}	120.9472	0.388	4	121.0178	1.025	6	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){4|H<1>,5|C<3>}	121.1590	2.148	2	121.0178	1.025	6	120.6742	1.468	295	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Au<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	120.4430	0.000	1	120.4430	0.000	1	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.2680	0.000	1	119.2680	0.000	1	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	119.9020	0.066	2	119.9020	0.004	2	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	121.2735	2.471	2	120.6337	3.275	4	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	119.9940	1.442	2	120.6337	3.275	4	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|Zn<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn){1|N<2>,3|H<1>,5|C<3>}	119.8355	0.183	2	119.8355	0.034	2	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe){1|Fe<5>,3|H<1>,5|C<3>}	121.0020	0.547	2	121.0020	0.300	2	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	121.1575	0.308	2	121.1575	0.095	2	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	128.5675	0.463	2	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	128.0855	1.504	2	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	123.8849	0.982	9	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	124.4857	0.306	3	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	125.4420	0.330	2	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	125.4522	1.225	13	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	124.1830	0.798	3	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<7>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	125.7980	2.196	2	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<7>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	124.5910	0.371	2	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	125.6250	0.000	1	125.1908	2.548	39	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir){2|H<1>,5|C<3>}	124.5357	1.105	3	124.5357	1.221	3	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	122.6770	0.198	2	122.6770	0.039	2	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|N<2>,3|H<1>,4|C<3>}	124.2630	0.000	1	125.8417	1.784	4	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){3|H<1>,5|C<3>}	126.3680	1.007	3	125.8417	1.784	4	124.0453	6.079	62	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:P[6]-3:	C[6a](C[6]C[6,6a]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo)	C[6a](C[6]C[6,6a]P[6])(C[6a]C[6a]H)2{1|Mo<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo){4|H<1>,5|C<3>}	120.4245	0.948	4	120.4245	0.900	4	120.4245	0.900	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|C<3>,5|H<1>}	120.0749	1.225	8	120.0666	1.711	12	120.1227	1.935	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|O<2>,4|C<3>,5|H<1>}	120.0500	1.665	4	120.0666	1.711	12	120.1227	1.935	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,7|C<3>}	120.2912	1.831	4	120.2912	3.353	4	120.1227	1.935	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[6,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	120.1850	0.682	2	120.1850	0.465	2	120.1850	0.465	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.1865	0.612	2	120.1865	0.374	2	120.8840	5.445	13	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	119.8720	1.051	2	119.8720	1.104	2	120.8840	5.445	13	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2){2|O<2>,3|H<1>,3|N<3>,4|C<3>}	120.5590	1.843	8	120.5590	3.396	8	120.8840	5.445	13	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.9030	0.000	1	126.9030	0.000	1	120.8840	5.445	13	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]C[6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	119.8830	0.440	2	119.8830	0.193	2	119.8830	0.193	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	120.0160	0.000	1	120.0160	0.000	1	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	120.4910	2.833	2	120.4910	8.024	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	120.0100	0.829	2	120.4588	0.530	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|Fe<10>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.9075	0.315	2	120.4588	0.530	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	120.3305	2.815	2	120.3305	7.924	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	121.1220	0.731	2	121.1220	0.535	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.2950	0.714	2	120.2950	0.510	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.7015	1.996	2	120.7015	3.985	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.6965	0.896	2	120.9922	0.386	6	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|H<1>,5|C<3>}	121.1400	0.536	4	120.9922	0.386	6	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N){2|O<2>,3|H<1>,4|C<3>}	121.4530	0.276	2	121.4530	0.076	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<4>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	120.6915	0.882	2	120.6700	0.507	8	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<4>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|B<4>,1|N<3>,2|H<1>,3|C<3>}	120.7605	0.494	2	120.6700	0.507	8	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<4>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	120.4735	1.473	2	120.6700	0.507	8	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<4>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Fe<5>,1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	120.7545	0.500	2	120.6700	0.507	8	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,4|C<3>}	120.4882	0.816	4	120.4882	0.666	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	120.5920	3.309	2	120.5920	10.951	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	120.6475	1.716	2	120.4520	1.708	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){3|H<1>,4|C<3>}	120.2565	1.423	2	120.4520	1.708	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	120.7165	0.672	2	120.9656	0.328	5	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	121.0800	0.799	2	120.9656	0.328	5	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	121.2350	0.000	1	120.9656	0.328	5	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	120.9425	0.981	2	120.9020	1.599	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){2|H<1>,5|C<3>}	120.8615	1.957	2	120.9020	1.599	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	120.6480	0.693	8	120.6480	0.481	8	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]P[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]P[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.9500	0.243	2	120.9500	0.059	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	120.2625	1.609	2	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.7015	0.793	4	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	120.7245	1.813	4	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<4>,1|N<3>,2|H<1>,3|C<3>}	120.6405	3.058	2	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Mo<9>,1|N<3>,2|H<1>,3|C<3>}	120.3355	0.289	2	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|N<3>,1|W<9>,2|H<1>,3|C<3>}	120.5355	3.897	2	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Se<2>,1|N<3>,2|H<1>,3|C<3>}	120.2758	1.054	4	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Te<2>,1|N<3>,2|H<1>,3|C<3>}	120.4733	0.953	4	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,2|Si<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){2|H<1>,2|N<3>,3|C<3>}	120.7382	0.535	4	120.5429	1.734	28	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H){1|C<4>,3|H<1>,6|C<3>}	120.9730	2.134	2	120.9730	4.554	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Rh<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh){2|H<1>,7|C<3>}	120.2833	1.613	4	120.2833	2.603	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|S<1>,2|H<1>,5|C<3>}	120.1552	0.575	4	120.1552	0.331	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Cu)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Cu){1|N<2>,2|H<1>,5|C<3>}	120.2180	0.789	2	120.2180	0.623	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Re)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Re){1|Re<6>,2|H<1>,6|C<3>}	120.1370	1.710	2	120.1370	2.923	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	120.6150	1.129	2	120.6150	1.274	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Ir){2|H<1>,5|C<3>}	125.0000	0.000	1	125.0467	0.013	3	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]Ir){2|H<1>,5|C<3>}	125.0700	0.151	2	125.0467	0.013	3	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Pt){1|C<4>,2|H<1>,3|C<3>}	128.5278	2.905	6	128.5370	7.034	7	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Pt){1|C<4>,2|H<1>,3|C<3>}	128.5920	0.000	1	128.5370	7.034	7	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh){1|H<1>,7|C<3>}	126.3265	0.589	2	126.3265	0.347	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Ru)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Ru){1|C<4>,2|H<1>,3|C<3>}	122.8660	0.693	4	122.8660	0.480	4	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]Ru)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]Ru){1|N<3>,2|H<1>,3|C<3>}	121.2280	0.000	1	121.2280	0.000	1	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]Ru)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]Ru){1|N<2>,2|H<1>,3|C<3>}	122.2315	0.786	2	122.2315	0.617	2	121.3656	5.679	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:P[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S){3|H<1>,6|C<3>}	120.4267	0.100	4	120.4267	0.010	4	120.4267	0.010	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:Ge[6]-3:C[6a]-3:	C[6a](C[6]Ge[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]Ge[6]C[6])(C[6a]C[6a]H)2{1|Ge<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ge<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,9|C<3>}	121.2420	1.587	4	121.2420	2.517	4	121.2420	2.517	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	120.2925	1.308	4	120.2925	1.710	4	120.3345	2.596	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Mn<7>,2|C<4>,3|H<1>,6|C<3>}	120.5390	3.203	2	120.3765	4.342	4	120.3345	2.596	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.2140	1.631	2	120.3765	4.342	4	120.3345	2.596	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,6|C<3>}	120.3720	0.999	4	120.3720	0.998	4	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.4930	0.048	2	120.4930	0.002	2	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.6410	2.541	2	120.6410	6.458	2	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,7|C<3>}	120.5500	0.852	6	120.5951	0.558	8	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	120.7305	0.476	2	120.5951	0.558	8	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.3260	1.529	2	120.3260	2.337	2	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.1930	0.348	2	120.1930	0.121	2	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	124.9492	0.723	6	124.7636	0.492	8	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ir)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ir)(C[6a]C[6a]2){1|H<1>,6|C<3>}	124.2070	0.040	2	124.7636	0.492	8	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]Pd)(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]Pd)(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	128.9120	0.000	1	128.9120	0.000	1	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Re)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Re)(C[6a]C[6a]2){1|Re<6>,1|H<1>,6|C<3>}	123.3935	0.745	2	123.3935	0.554	2	122.0440	5.976	31	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:S[6]-3:C[6a]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	120.2818	1.848	4	120.2818	3.414	4	120.2818	3.414	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As[6]-3:C[6]-3:	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H)	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2{1|As<3>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|As<3>,1|Br<1>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H){1|C<4>,3|C<3>,3|H<1>}	121.4313	0.299	4	121.3115	0.647	8	121.3449	0.503	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As[6]-3:C[6]-3:	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H)	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2{1|As<3>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|As<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H){1|C<4>,3|C<3>,3|H<1>}	121.1917	1.176	4	121.3115	0.647	8	121.3449	0.503	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As[6]-3:C[6]-3:	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H)	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2{1|As<3>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|As<3>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H){1|C<4>,3|C<3>,3|H<1>}	121.4117	0.570	4	121.4117	0.325	4	121.3449	0.503	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|C<4>,3|C<3>,3|H<1>}	120.7170	0.000	1	118.6185	8.807	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){3|H<1>,4|C<3>}	116.5200	0.000	1	118.6185	8.807	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	119.2373	0.899	4	119.2373	0.807	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.0230	0.031	2	118.0230	0.001	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	119.6530	0.000	1	118.7715	1.554	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	117.8900	0.000	1	118.7715	1.554	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	118.3940	0.000	1	118.3940	0.000	1	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|O<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.3290	0.000	1	121.3290	0.000	1	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	119.8270	0.000	1	119.8270	0.000	1	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){3|C<3>,4|H<1>}	118.6150	0.000	1	118.6150	0.000	1	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.3125	2.443	2	120.3125	5.969	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	120.4315	0.622	2	120.4464	2.629	8	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	120.1290	1.677	2	120.4464	2.629	8	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){4|C<3>,4|H<1>}	120.6125	2.228	4	120.4464	2.629	8	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){2|H<1>,6|C<3>}	121.1035	0.664	2	120.4969	1.318	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	120.2380	2.239	2	120.4969	1.318	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	120.3450	0.595	2	120.4969	1.318	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.4660	1.267	2	120.4969	1.318	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	120.3340	2.739	2	120.4969	1.318	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.3729	0.345	8	120.4969	1.318	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	120.6205	1.511	8	120.4969	1.318	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){3|C<3>,4|H<1>}	121.9450	0.000	1	120.8816	6.973	5	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){4|C<3>,4|H<1>}	120.6157	2.971	4	120.8816	6.973	5	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	120.0660	1.799	2	120.2310	1.839	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){3|C<3>,5|H<1>}	120.3960	1.474	2	120.2310	1.839	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H){3|C<3>,4|H<1>}	120.5810	0.293	2	120.5810	0.086	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2){2|H<1>,7|C<3>}	120.1981	2.025	30	120.1981	4.099	30	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	121.0015	0.213	2	120.3220	0.874	18	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|H<1>,5|C<3>}	120.9810	1.124	2	120.3220	0.874	18	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	120.4080	0.689	2	120.3220	0.874	18	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){2|H<1>,5|C<3>}	119.7830	1.024	4	120.3220	0.874	18	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	120.2100	2.242	2	120.3220	0.874	18	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.2843	0.629	4	120.3220	0.874	18	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	120.1630	0.815	2	120.3220	0.874	18	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.8850	0.000	1	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.4845	0.118	2	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.8257	0.835	4	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	120.9952	1.068	6	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,5|C<3>}	120.8420	0.688	4	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	120.7705	1.131	2	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	120.7275	1.402	2	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	119.7990	0.334	2	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	120.4545	2.012	2	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	120.3620	0.000	1	120.7831	0.954	26	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	120.8380	1.525	2	120.7378	1.705	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	120.6375	1.658	2	120.7378	1.705	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.7985	0.060	2	120.4864	1.447	12	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	120.8835	1.487	2	120.4864	1.447	12	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.3091	1.360	8	120.4864	1.447	12	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]W)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|W<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]W){2|H<1>,5|C<3>}	120.7380	2.338	2	120.2941	1.328	12	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]W)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|W<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]W){2|H<1>,5|C<3>}	120.2053	0.982	10	120.2941	1.328	12	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.2622	1.605	4	120.2622	2.576	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	120.1360	2.096	2	120.1360	4.393	2	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	120.4520	0.739	4	120.4520	0.546	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	120.4338	0.683	4	120.4338	0.467	4	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	119.1470	0.000	1	119.1470	0.000	1	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	121.1431	0.970	20	121.1431	0.942	20	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	116.4060	0.000	1	116.4060	0.000	1	120.3882	2.035	199	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:P[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|W<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|P<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W){2|H<1>,5|C<3>}	121.3550	2.572	2	120.5949	2.100	20	120.5949	2.100	20	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:P[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|W<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W){2|H<1>,5|C<3>}	121.3275	0.093	2	120.5949	2.100	20	120.5949	2.100	20	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:P[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|W<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W){2|H<1>,5|C<3>}	120.4084	1.426	16	120.5949	2.100	20	120.5949	2.100	20	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	120.9480	1.638	8	120.7832	1.693	24	120.7832	1.693	24	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:S[6]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	120.7009	1.150	16	120.7832	1.693	24	120.7832	1.693	24	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pd<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	116.7322	1.610	4	116.7322	2.592	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pt<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	117.3670	0.000	1	119.3210	7.636	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pt<6>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	121.2750	0.000	1	119.3210	7.636	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|Au<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C){3|C<3>,3|H<1>}	128.8030	0.000	1	128.8030	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	122.7564	1.045	11	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0830	0.609	14	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	122.0085	0.607	2	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|H<1>,5|C<3>}	122.5782	0.492	6	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6868	0.951	16	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	122.9272	0.574	5	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0080	0.746	4	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8220	0.000	1	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8270	0.000	1	122.8379	0.662	60	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]N[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]N[6]H){1|H<1>,4|C<3>}	123.0105	0.333	4	123.0105	0.111	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]B)(C[6a]C[6a]H){1|Zr<11>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	118.8625	0.801	2	118.8625	0.642	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Au<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.0750	0.000	1	118.0750	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ir<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|H<1>,4|C<3>}	115.6008	0.616	5	115.6008	0.379	5	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	119.1308	1.591	4	119.4078	1.705	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,6|C<3>}	119.9620	0.102	2	119.4078	1.705	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	113.2140	0.000	1	113.2140	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	116.4110	0.105	2	116.4110	0.011	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.3950	0.115	3	116.8517	2.663	13	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|H<1>,4|C<3>}	116.2773	1.816	6	116.8517	2.663	13	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<9>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	116.5557	1.409	4	116.8517	2.663	13	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Co)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2710	0.000	1	124.2710	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7270	0.000	1	122.2160	0.422	10	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	122.2830	0.471	2	122.2160	0.422	10	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0715	0.585	6	122.2160	0.422	10	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Fe)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	123.4380	0.000	1	122.2160	0.422	10	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	116.9725	0.916	10	116.9725	0.839	10	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	118.5950	0.000	1	118.5950	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	118.7700	1.272	3	118.7700	1.618	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	117.6995	0.746	2	117.7900	0.303	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	117.9710	0.000	1	117.7900	0.303	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	119.2880	0.000	1	118.8050	0.467	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ru<9>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	118.3220	0.000	1	118.8050	0.467	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	120.2130	0.776	2	120.2130	0.603	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.9880	0.000	1	119.2417	0.403	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<3>,2|H<1>,3|C<3>}	119.8330	0.000	1	119.2417	0.403	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.9073	0.470	4	119.2417	0.403	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<5>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	117.7845	0.218	2	117.7845	0.048	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cr<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	117.9620	0.010	2	117.9620	0.000	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	117.3470	0.000	1	117.3470	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	116.6210	0.435	10	116.7598	0.587	14	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	117.1068	1.324	4	116.7598	0.587	14	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	119.7010	0.317	2	118.8975	0.907	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.0940	0.197	2	118.8975	0.907	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.5180	0.000	1	118.5180	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.6037	0.448	3	119.6037	0.200	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.0250	0.000	1	120.0250	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.0830	0.000	1	120.0830	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.1557	0.335	3	119.1557	0.112	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.7160	0.000	1	118.7160	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	116.3738	0.197	5	116.8013	1.128	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	118.9390	0.000	1	116.8013	1.128	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Li<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.2870	0.000	1	120.3790	0.255	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Li<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	119.9260	0.000	1	120.3790	0.255	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Li<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	120.9240	0.000	1	120.3790	0.255	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.3730	0.000	1	117.8880	4.804	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	116.6455	0.588	2	117.8880	4.804	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.6900	0.000	1	117.8305	0.767	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	117.4900	0.000	1	117.8305	0.767	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.3810	0.000	1	117.8305	0.767	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	116.7610	0.000	1	117.8305	0.767	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	116.4740	0.000	2	116.4740	0.000	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|O<3>,3|C<3>,3|H<1>}	119.1120	0.000	1	119.1120	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	118.2258	1.006	4	118.2258	1.012	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<5>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.4800	0.000	1	120.4800	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.2230	0.000	1	120.2230	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.9280	0.000	1	119.9280	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	116.1945	1.043	4	116.1945	1.088	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	116.4870	0.000	1	116.4870	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Fe<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|S<3>,2|H<1>,3|C<3>}	116.3277	0.343	3	116.3277	0.118	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	118.9090	0.000	1	118.9090	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Ru<9>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	116.8540	0.000	1	116.8540	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.2165	0.919	2	119.2165	0.844	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.5720	0.171	2	119.5720	0.029	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	119.3030	0.000	1	119.7330	0.389	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	119.9480	0.707	2	119.7330	0.389	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|Cu<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.6310	1.185	2	119.6310	1.404	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.2120	0.854	2	119.2120	0.730	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	119.8985	0.880	2	119.8985	0.775	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cd<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,5|C<3>}	120.4892	1.300	4	120.4892	1.690	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Co<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.5460	0.565	4	120.5484	0.265	11	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Co<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5575	0.750	4	120.5484	0.265	11	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Co<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,5|C<3>}	120.5393	0.055	3	120.5484	0.265	11	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cr<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,5|C<3>}	120.2335	1.354	2	120.2335	1.834	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|Cu<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.1355	0.425	2	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){3|H<1>,4|C<3>}	121.7515	2.394	2	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	120.8375	0.426	4	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){3|H<1>,4|C<3>}	120.3651	0.930	8	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.9895	1.562	2	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.9825	0.770	2	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.5205	0.334	4	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){3|H<1>,4|C<3>}	120.6770	1.130	4	120.6707	1.037	28	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.0345	1.138	2	120.5633	0.744	11	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Fe<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.2182	0.528	4	120.5633	0.744	11	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Fe<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){3|H<1>,4|C<3>}	121.3222	0.732	4	120.5633	0.744	11	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Fe<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.9650	0.000	1	120.5633	0.744	11	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Hg)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Hg<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Hg)(C[6]C[6]H){2|H<1>,5|C<3>}	120.7716	0.595	8	120.7716	0.354	8	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	119.6890	0.440	4	119.9415	2.192	12	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|H<1>,4|C<3>}	120.0678	1.818	8	119.9415	2.192	12	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){3|H<1>,4|C<3>}	120.2305	0.460	2	120.3560	0.252	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.4187	0.578	4	120.3560	0.252	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Mo<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,5|C<3>}	120.3010	1.836	2	120.3010	3.370	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cl<1>,1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.3900	0.045	2	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|H<1>,4|C<3>}	121.9220	1.079	2	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.8610	1.120	2	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	120.6210	0.559	4	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,4|H<1>}	120.2695	0.375	2	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.7880	0.839	2	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.6217	1.256	8	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.3200	0.571	16	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<7>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.4273	0.198	3	120.5932	0.668	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5782	0.960	4	120.4507	1.274	16	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.3110	1.348	4	120.4507	1.274	16	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,4|H<1>}	120.4569	1.239	8	120.4507	1.274	16	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	121.8430	0.000	1	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,4|H<1>}	120.7025	1.641	6	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	120.4720	0.373	4	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.6190	0.020	2	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	120.2925	0.477	2	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,4|H<1>}	120.2847	1.229	14	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	120.6390	1.072	4	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	120.0820	0.424	2	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5080	0.561	2	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	120.6515	2.321	2	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	120.0905	1.142	2	120.4628	1.199	41	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Re<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	121.1575	0.279	2	121.1575	0.078	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Rh<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,5|C<3>}	119.7505	1.378	2	119.7692	0.738	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,4|H<1>}	119.7880	0.559	2	119.7692	0.738	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,5|C<3>}	120.1435	0.056	2	120.4168	0.375	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,4|H<1>}	120.2205	0.824	2	120.4168	0.375	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Zn<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.1180	0.971	4	120.4168	0.375	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Zn<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.5946	0.491	12	120.4168	0.375	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.3170	0.470	2	120.3170	0.220	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.7785	1.034	2	119.7785	1.070	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Fe<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.7970	0.000	1	120.7970	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ir<6>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	119.0045	2.576	2	119.0045	6.636	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|H<1>,4|C<3>}	119.6395	1.678	2	119.6395	2.816	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	119.7150	1.755	4	119.7150	3.079	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,4|B<6>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1976	1.187	5	122.1976	1.409	5	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.2500	0.552	2	122.9571	1.129	9	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.1390	0.000	1	122.9571	1.129	9	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4958	0.475	6	122.9571	1.129	9	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5300	0.491	4	121.0023	3.417	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1630	0.460	2	121.0023	3.417	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	119.7241	1.071	10	121.0023	3.417	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	120.5897	0.766	4	121.0023	3.417	20	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]C){3|C<3>,3|H<1>}	125.6775	0.379	4	125.6775	0.143	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	126.6270	0.000	1	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	126.4470	0.000	1	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.2330	0.000	1	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	123.6346	0.647	5	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4373	1.115	4	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4166	1.212	56	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<5>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8050	0.860	9	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.5941	0.525	9	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	123.3210	0.000	1	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	124.5310	0.000	1	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.5914	0.299	5	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	122.7910	0.363	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	123.4011	0.808	29	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3023	1.062	393	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3927	0.942	6	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8380	0.778	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6780	0.785	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,1|S<6>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.9465	0.161	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0441	0.545	14	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3697	0.962	6	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	121.3025	0.115	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3938	1.138	42	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	122.1285	0.145	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2173	0.417	3	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6160	0.143	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	122.9750	0.106	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8629	0.630	12	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	124.6540	0.086	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6485	0.026	2	123.3322	1.104	618	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0280	0.000	1	123.0280	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.3173	1.182	4	121.3173	1.398	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.3816	1.716	8	121.3816	2.945	8	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|Mn<8>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.3480	0.000	1	123.0905	0.176	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3805	0.313	2	123.0905	0.176	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0920	0.187	2	123.0905	0.176	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Mn)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Mn<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2500	0.000	1	123.0905	0.176	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	128.2130	0.950	2	125.8620	4.873	5	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	124.4460	0.165	2	125.8620	4.873	5	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9920	0.000	1	125.8620	4.873	5	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	127.9732	0.769	6	127.9732	0.592	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	128.0605	0.250	4	128.2238	0.166	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	128.5505	0.566	2	128.2238	0.166	6	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	128.4215	0.281	2	123.4239	6.080	12	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4360	0.152	3	123.4239	6.080	12	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Os<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	121.3803	0.524	3	123.4239	6.080	12	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1987	0.446	4	123.4239	6.080	12	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	127.6740	0.027	2	127.6740	0.001	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	126.1950	0.000	1	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8225	2.222	6	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	124.5995	1.801	2	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Pd<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4627	2.303	3	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.5530	0.494	2	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	125.2900	0.000	1	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	123.1720	0.105	2	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.3610	0.000	1	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0605	1.089	12	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3752	1.141	45	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	124.5607	0.458	3	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6940	0.897	2	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6093	1.006	6	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<6>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.2590	0.000	1	123.7289	2.341	87	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.8163	0.625	3	127.6298	5.892	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0700	0.000	1	127.6298	5.892	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]B)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1750	0.707	2	122.1750	0.500	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	129.2183	0.431	4	129.2183	0.185	4	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	129.0560	0.000	2	126.2136	16.089	17	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.7524	2.016	7	126.2136	16.089	17	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.0922	0.835	4	126.2136	16.089	17	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.6500	0.716	2	126.2136	16.089	17	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4220	0.000	1	126.2136	16.089	17	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1620	0.000	1	126.2136	16.089	17	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F){3|C<3>,3|H<1>}	134.7070	0.000	1	134.7070	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6118	1.728	8	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	122.1910	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.8604	0.476	25	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Pt<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3805	0.315	2	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ge<4>,1|Pt<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3360	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5570	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6909	1.047	7	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.1080	0.959	2	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	121.7170	0.617	2	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	121.5548	0.468	16	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2353	0.756	8	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	122.5924	0.751	9	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|I<1>,4|C<3>}	123.3290	0.249	2	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	122.3165	0.915	28	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	122.0301	1.333	7	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	122.4990	0.852	61	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0703	1.226	109	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	122.8743	0.823	3	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.5514	0.585	5	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1400	1.753	13	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4410	0.354	2	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9210	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9990	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1098	0.512	11	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.5080	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	121.9625	0.854	14	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3370	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5980	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1905	0.794	13	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	125.0630	0.000	1	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1545	0.404	2	123.2671	3.690	358	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]O){3|C<3>,3|H<1>}	124.8920	0.000	1	124.8920	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.9778	0.724	18	128.9778	0.524	18	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1835	0.045	2	123.1835	0.002	2	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|S<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9940	0.000	1	123.9940	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]C){3|C<3>,3|H<1>}	124.9810	0.000	1	124.9810	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0670	0.000	1	122.0670	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0963	0.235	3	123.0963	0.055	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]C){3|C<3>,3|H<1>}	128.9290	0.000	1	128.9290	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1240	0.000	1	123.4533	0.317	34	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5506	0.250	8	123.4533	0.317	34	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3180	0.000	1	123.4533	0.317	34	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9545	0.221	2	123.4533	0.317	34	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	122.9520	0.660	5	123.4533	0.317	34	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5506	0.521	16	123.4533	0.317	34	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0870	0.000	1	123.4533	0.317	34	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[4])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[4])(H){1|Rh<8>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	122.2820	0.000	1	122.2820	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Rh)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|Rh<8>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Rh)(H){1|Rh<8>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	121.5200	0.000	1	121.5200	0.000	1	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	121.2380	0.457	2	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	121.6240	0.000	1	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	121.1435	0.327	2	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<5>,2|H<1>,3|C<3>}	122.8580	0.000	1	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|B<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0540	0.000	1	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	122.4460	0.424	3	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	121.3855	0.247	2	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	122.8980	0.000	1	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	122.3855	0.037	2	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	122.5278	0.813	17	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	122.3880	0.000	1	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6300	0.000	1	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9750	0.907	2	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	123.6180	0.000	1	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7843	0.434	3	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<9>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7730	0.082	2	122.4175	0.727	42	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Te)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Te)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Te<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7900	0.000	1	122.6893	0.227	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Te)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Te)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Te<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6390	0.662	2	122.6893	0.227	3	122.5977	5.942	1730	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6]-3:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(O[6]B[6]Li)(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)2{1|Li<3>,1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]B[6]Li)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	120.8093	0.460	4	120.8093	0.212	4	120.8093	0.212	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	118.1292	0.628	4	118.1292	0.394	4	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|Au<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]Au)(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	120.9525	2.439	2	120.9525	5.948	2	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	120.7903	0.999	8	120.7903	0.997	8	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|Ir<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	121.3325	0.285	2	121.3325	0.081	2	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Mo)(C[6]C[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|Mo<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]Mo)(C[6]C[6]H){2|H<1>,5|C<3>}	120.9145	1.367	2	120.9145	1.868	2	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H){2|H<1>,5|C<3>}	120.5690	0.147	2	120.5690	0.022	2	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|P<3>,2|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	122.3810	0.000	1	122.3810	0.000	1	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|P<3>,2|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H){1|H<1>,5|C<3>}	122.3800	0.000	1	122.3800	0.000	1	120.5062	2.307	22	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si[6]-3:C[6]-3:	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H)	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2{1|Si<3>,1|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(Si[6]C[6]Si)(C[6]Si[6]H){1|Si<4>,3|C<3>,3|H<1>}	121.0588	1.709	8	121.0588	2.921	8	121.0588	2.921	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[3x6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]N[3x6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	C[6a](C[6]N[3x6]N[6])(C[6a]C[6a]H)2{3|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	120.3920	2.580	2	120.3920	6.654	2	120.3920	6.654	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]N[4,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[4,6]N[6])(C[6a]C[6a]H)2{3|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|N<4>,3|C<4>,4|C<3>}	120.5120	0.086	2	120.5120	0.007	2	120.5120	0.007	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|O<2>,3|H<1>,6|C<3>}	120.1230	2.512	2	120.1230	6.308	2	120.1683	2.531	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	120.0512	1.924	4	120.1833	2.281	6	120.1683	2.531	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]H)2{1|Si<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,8|C<3>}	120.4475	0.298	2	120.1833	2.281	6	120.1683	2.531	8	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	120.5517	1.010	3	120.5517	1.019	3	120.4788	0.873	5	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	120.3695	1.189	2	120.3695	1.413	2	120.4788	0.873	5	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	120.9182	1.283	6	120.9182	1.646	6	120.5827	0.963	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	120.5790	0.451	2	120.5790	0.204	2	120.5827	0.963	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	120.2633	0.623	6	120.3320	0.690	8	120.5827	0.963	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	120.5380	1.666	2	120.3320	0.690	8	120.5827	0.963	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	120.5125	0.596	2	120.5125	0.355	2	120.3002	0.694	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	120.1940	1.358	6	120.1940	1.845	6	120.3002	0.694	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	120.0190	0.057	2	120.3475	0.110	6	120.3002	0.694	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	120.4945	0.282	2	120.3475	0.110	6	120.3002	0.694	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	120.5290	0.379	2	120.3475	0.110	6	120.3002	0.694	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	120.3500	0.953	2	120.3500	0.909	2	120.3002	0.694	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.2150	0.751	2	120.2150	0.564	2	120.3002	0.694	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	121.1080	1.895	2	121.1080	3.591	2	120.4094	1.097	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	120.3810	2.151	2	120.3810	4.627	2	120.4094	1.097	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	120.0540	1.117	4	120.0540	1.248	4	120.4094	1.097	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	120.7940	0.946	2	120.3842	0.423	6	120.4094	1.097	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	120.2705	0.766	2	120.3842	0.423	6	120.4094	1.097	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	120.0880	0.310	2	120.3842	0.423	6	120.4094	1.097	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H)	C[6a](C[6]N[5a,6]C[6])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]S[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	120.5255	0.927	2	120.5255	0.859	2	120.4094	1.097	16	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.7520	0.209	2	120.7520	0.044	2	120.5982	1.436	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	120.2155	3.142	2	120.2155	9.870	2	120.5982	1.436	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	121.0145	0.606	2	120.9382	0.192	4	120.5982	1.436	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.8620	0.431	2	120.9382	0.192	4	120.5982	1.436	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.4237	0.867	4	120.4237	0.751	4	120.5982	1.436	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.4960	2.230	2	120.4960	4.974	2	120.5982	1.436	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	120.4680	1.352	2	120.4680	1.828	2	120.6376	0.272	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,4|C<3>,4|H<1>}	120.4690	0.659	2	120.4690	0.434	2	120.6376	0.272	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.1825	0.111	2	120.1825	0.012	2	120.6376	0.272	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	120.7097	0.361	4	120.7097	0.130	4	120.6376	0.272	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	120.5900	0.544	2	120.7999	0.171	8	120.6376	0.272	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	121.2240	0.082	2	120.7999	0.171	8	120.6376	0.272	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	120.6928	0.364	4	120.7999	0.171	8	120.6376	0.272	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	C[6a](C[6]N[6,6]N[6])(C[6a]C[6a]H)2{3|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>,4|N<3>}	120.4610	1.034	2	120.4610	1.069	2	120.5585	6.631	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[6,6]N[6])(C[6a]C[6a]H)2{3|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	120.3320	0.023	2	120.3320	0.001	2	120.5585	6.631	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6]-3:N[6]-3:C[6a]-3:	C[6a](C[6]N[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[6,6]N[6])(C[6a]C[6a]H)2{3|Ga<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<3>,2|H<1>,2|N<2>,4|C<3>,4|C<4>}	120.8825	5.635	2	120.8825	31.752	2	120.5585	6.631	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	120.5950	0.034	2	120.5950	0.001	2	120.3234	1.069	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	120.8285	0.084	2	120.8285	0.007	2	120.3234	1.069	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	120.0015	2.029	2	120.3035	3.564	4	120.3234	1.069	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.6055	2.493	2	120.3035	3.564	4	120.3234	1.069	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	120.7365	0.582	2	120.1761	0.733	10	120.3234	1.069	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	120.0665	1.643	2	120.1761	0.733	10	120.3234	1.069	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	120.0258	0.745	6	120.1761	0.733	10	120.3234	1.069	18	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	120.1390	0.158	2	120.1390	0.025	2	120.1390	0.025	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.2075	0.377	2	121.2075	0.142	2	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	121.8498	2.632	6	121.2490	5.690	12	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	120.6482	2.173	6	121.2490	5.690	12	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.4720	0.974	2	120.4720	0.949	2	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	119.9592	0.248	4	119.9592	0.062	4	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	121.4870	0.044	2	120.9930	2.010	10	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	121.4340	0.986	2	120.9930	2.010	10	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	121.0035	0.866	2	120.9930	2.010	10	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.5203	2.206	4	120.9930	2.010	10	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	121.1905	0.066	2	121.1905	0.004	2	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ge<3>,1|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<3>,3|C<3>}	120.8430	0.739	4	120.8430	0.545	4	120.9408	2.553	36	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Au)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Au)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	122.1230	0.000	1	122.1230	0.000	1	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	118.1390	1.218	4	118.1390	1.484	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cr)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Cr)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0860	0.000	1	123.0860	0.000	1	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.5800	0.433	2	118.5800	0.187	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.2705	0.121	2	118.5835	0.710	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	118.7400	1.040	4	118.5835	0.710	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ir<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.9925	1.436	2	119.9925	2.062	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|C<3>,5|H<1>}	120.6990	1.184	2	120.6990	1.401	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[5,6]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]Ir)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.0655	1.126	2	120.0655	1.269	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|H<1>,4|C<3>}	120.6190	1.137	2	120.4418	1.065	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	120.6665	1.872	2	120.4418	1.065	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|C<3>,4|H<1>}	120.0400	0.202	2	120.4418	1.065	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	120.7843	0.796	6	120.7843	0.634	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.7035	0.688	2	120.7035	0.473	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H){2|H<1>,4|C<3>}	120.4783	1.607	4	120.4783	2.583	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){2|H<1>,8|C<3>}	120.1135	1.490	2	120.1135	2.220	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5925	0.690	8	120.5925	0.476	8	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cr<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.2515	2.360	2	120.0735	1.920	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cr<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	119.8955	0.255	2	120.0735	1.920	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	120.7874	1.309	8	120.7874	1.715	8	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.9954	0.865	8	120.7621	0.800	16	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.5282	1.028	4	120.7621	0.800	16	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5295	0.953	4	120.7621	0.800	16	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Fe<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5067	0.785	8	120.5067	0.616	8	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|H<1>}	120.4750	0.181	2	120.5583	0.453	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	120.6415	1.139	2	120.5583	0.453	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.6122	0.845	10	120.6122	0.715	10	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5052	2.674	4	120.5052	7.148	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	119.7480	2.308	2	119.7480	5.327	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){1|O<1>,2|H<1>,4|C<3>}	119.7600	2.749	2	119.7600	7.558	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,5|C<3>}	120.1020	0.641	2	120.3135	0.837	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5250	1.386	2	120.3135	0.837	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	119.9020	1.444	6	119.9020	2.086	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Re)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Re<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.8053	1.126	4	120.8053	1.268	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.0192	1.767	8	120.0192	3.123	8	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	120.3940	0.231	2	120.3940	0.053	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5000	0.504	6	120.5000	0.254	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	119.5532	2.407	4	119.5532	5.792	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.2786	1.618	8	120.4258	1.853	26	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	120.3875	2.057	2	120.4258	1.853	26	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.5042	1.252	16	120.4258	1.853	26	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,6|C<3>}	120.6215	2.777	2	120.3708	2.140	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	120.2455	0.966	4	120.3708	2.140	6	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.2495	0.349	2	120.5116	3.319	26	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	120.5365	2.241	2	120.5116	3.319	26	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	120.3065	1.957	6	120.5116	3.319	26	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	120.6182	1.968	16	120.5116	3.319	26	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	120.7050	2.314	2	120.7050	5.353	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	120.6745	1.020	4	120.6745	1.040	4	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.2585	0.101	2	123.2585	0.010	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5433	0.345	3	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	124.4285	1.446	2	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,5|C<3>}	124.3328	0.195	4	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	121.5645	0.124	2	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	122.8911	1.248	28	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9780	0.983	2	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	125.0760	0.170	2	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	124.0750	0.880	2	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	123.4290	0.000	1	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5330	0.000	1	123.2791	1.575	47	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|F<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]N[6]C){1|H<1>,4|C<3>}	125.3223	0.825	6	125.6502	0.678	9	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]N[6]C){1|H<1>,4|C<3>}	126.3060	0.211	3	125.6502	0.678	9	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ni)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	125.3100	0.000	1	125.3100	0.000	1	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9225	0.366	2	123.9225	0.134	2	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.1840	0.000	1	123.1840	0.000	1	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](N[6]C[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	122.9340	0.000	1	122.9340	0.000	1	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5010	0.000	1	123.4817	0.613	10	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	123.9630	0.000	1	123.4817	0.613	10	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,5|C<3>}	123.4860	0.928	6	123.4817	0.613	10	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.2185	0.917	2	123.4817	0.613	10	121.2207	3.981	277	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	S[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H){2|H<1>,8|C<3>}	121.3930	2.059	2	121.3930	4.240	2	121.3930	4.240	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]N[6a]O)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]N[6a]O)2{2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>,3|N<3>}	120.0395	0.706	2	120.0395	0.499	2	120.0395	0.499	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Co)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	125.0768	1.151	17	125.0768	1.324	17	124.9539	2.304	28	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Cu)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Cu)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	123.6090	0.000	1	123.6090	0.000	1	124.9539	2.304	28	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Cu)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Cu)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	126.3645	0.504	6	126.3645	0.254	6	124.9539	2.304	28	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Pd)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.3660	1.047	2	122.3660	1.095	2	124.9539	2.304	28	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Re)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Re)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	121.6870	0.000	1	121.6870	0.000	1	124.9539	2.304	28	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Ru)(C[6a]C[6a]H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Ru)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	124.1890	0.000	1	124.1890	0.000	1	124.9539	2.304	28	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Cu)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Cu)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	126.9790	0.000	1	126.9790	0.000	1	127.0826	0.099	5	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Os)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Os)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	127.0950	0.000	1	127.0950	0.000	1	127.0826	0.099	5	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Ru)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Ru)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	127.6060	0.000	1	127.1915	0.344	2	127.0826	0.099	5	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Ru)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Ru)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	126.7770	0.000	1	127.1915	0.344	2	127.0826	0.099	5	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Zn)(C[6a]C[6a]O)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]O)	C[6a](C[6]C[6]N[6])(N[6a]C[6a]Zn)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(O){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	126.9560	0.000	1	126.9560	0.000	1	127.0826	0.099	5	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	120.6955	0.303	2	120.6955	0.092	2	121.7663	3.486	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	123.9080	0.000	1	123.9080	0.000	1	121.7663	3.486	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C){1|N<2>,2|H<1>,6|C<3>}	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	133.5699	1.004	44	133.5699	1.008	44	132.4592	19.509	47	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	116.9460	0.286	2	116.1693	1.850	3	132.4592	19.509	47	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]H){1|Si<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	114.6160	0.000	1	116.1693	1.850	3	132.4592	19.509	47	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C){2|H<1>,8|C<3>}	119.1590	0.000	1	119.1590	0.000	1	118.1510	2.032	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H){1|O<1>,2|H<1>,6|C<3>}	117.1430	0.000	1	117.1430	0.000	1	118.1510	2.032	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6,6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]N[6,6]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]N[6,6]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	118.6990	0.515	2	118.6990	0.265	2	118.6990	0.265	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	117.8200	0.000	1	117.8200	0.000	1	117.1545	1.500	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,5|C<3>}	119.2330	0.000	1	119.2330	0.000	1	117.1545	1.500	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cu<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	118.7490	0.000	1	118.7490	0.000	1	117.1545	1.500	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	116.5370	0.000	2	116.6121	0.763	8	117.1545	1.500	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	116.5890	1.146	5	116.6121	0.763	8	117.1545	1.500	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	116.8780	0.000	1	116.6121	0.763	8	117.1545	1.500	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|I<1>,2|H<1>,6|C<3>}	122.5290	0.000	1	122.5290	0.000	1	122.5290	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	119.2765	0.728	2	118.8563	0.794	3	117.5577	2.985	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	118.0160	0.000	1	118.8563	0.794	3	117.5577	2.985	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,5|C<3>}	119.6270	1.130	2	119.6270	1.277	2	117.5577	2.985	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	116.0792	0.580	11	116.5543	1.773	13	117.5577	2.985	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	119.1675	1.330	2	116.5543	1.773	13	117.5577	2.985	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	119.2277	0.491	3	119.2277	0.241	3	117.5577	2.985	21	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(I)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(I){5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|I<1>,2|H<1>,4|C<3>}	121.6190	0.000	1	121.6190	0.000	1	121.6190	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]Br)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]Br){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7650	0.631	2	122.6435	1.175	4	122.8954	0.893	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5220	0.199	2	122.6435	1.175	4	122.8954	0.893	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Ir<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.8870	0.000	1	121.8870	0.000	1	122.8954	0.893	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ir){1|P<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5420	0.000	1	123.5420	0.000	1	122.8954	0.893	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7840	0.252	2	123.1692	0.835	5	122.8954	0.893	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<6>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	122.2160	0.496	2	123.1692	0.835	5	122.8954	0.893	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8460	0.000	1	123.1692	0.835	5	122.8954	0.893	11	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	118.6340	0.000	1	119.0365	0.324	2	119.0365	0.324	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	119.4390	0.000	1	119.0365	0.324	2	119.0365	0.324	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.7665	1.360	2	120.7665	1.849	2	120.7665	1.849	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ru)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6a]C[6,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Ru){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|Ru<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]Cl){2|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<2>,3|H<1>,5|C<3>}	119.9150	0.000	1	119.9150	0.000	1	120.5758	0.635	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O){1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	120.1490	0.000	1	120.5035	0.251	2	120.5758	0.635	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O){2|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|O<2>,3|H<1>,5|C<3>}	120.8580	0.000	1	120.5035	0.251	2	120.5758	0.635	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]S){2|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	120.8443	1.063	3	120.8443	1.130	3	120.5758	0.635	6	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){3|H<1>,4|C<3>}	120.2195	1.677	2	120.2195	2.811	2	121.6262	1.534	17	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	121.7869	0.534	8	121.8137	1.232	15	121.6262	1.534	17	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]Pt){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	121.8444	1.594	7	121.8137	1.232	15	121.6262	1.534	17	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O){1|Cu<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.8040	0.000	1	118.8040	0.000	1	119.6020	0.374	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O){1|Pt<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	119.8680	0.370	3	119.8680	0.137	3	119.6020	0.374	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]Br){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	122.0140	0.000	1	122.0140	0.000	1	122.0140	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.9820	0.000	1	120.8930	0.016	2	120.8503	0.159	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	120.8040	0.000	1	120.8930	0.016	2	120.8503	0.159	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6]C[5a,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	120.8075	0.674	2	120.8075	0.454	2	120.8503	0.159	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6,6a]Ni)(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6a]C[6,6a]Ni)(C[6]C[6]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(H){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	132.7920	0.109	2	132.7920	0.012	2	122.3702	25.102	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<7>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	120.2122	0.885	4	120.2122	0.783	4	122.3702	25.102	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Zn<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){3|H<1>,4|C<3>}	119.3280	0.100	2	119.3280	0.010	2	122.3702	25.102	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){3|H<1>,4|C<3>}	119.6690	2.055	2	119.6690	4.222	2	122.3702	25.102	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Ir)(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]Ir)(C[6]C[6]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0080	0.552	2	122.0080	0.304	2	122.3702	25.102	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6]C[5a,6]2)(C[6a]N[6a]O){1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	118.9220	0.000	1	118.9220	0.000	1	118.9220	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.9433	1.291	4	120.9433	1.665	4	120.9433	1.665	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.3270	0.000	1	121.3107	0.040	3	121.3107	0.040	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.3025	0.282	2	121.3107	0.040	3	121.3107	0.040	3	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2){1|N<2>,2|N<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	119.0770	1.997	2	119.0770	3.987	2	119.0770	3.987	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.0010	0.000	1	120.0010	0.000	1	120.6344	0.417	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.5765	0.671	8	120.5723	0.400	10	120.6344	0.417	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.5555	0.665	2	120.5723	0.400	10	120.6344	0.417	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	121.7340	0.000	1	121.7340	0.000	1	120.6344	0.417	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)2(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a,6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,3|C<3>,3|H<1>}	120.7120	0.410	2	120.7120	0.168	2	120.6344	0.417	14	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a,6a]H)(C[6]C[6]N[6])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a,6a]H)(C[6]C[6]N[6]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4140	1.291	2	122.4140	1.667	2	121.4371	1.570	7	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a,6a]H)(C[6]C[6]N[6])	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a,6a]H)(C[6]C[6]N[6]){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|B<3>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	120.4683	1.120	3	121.0464	1.271	5	121.4371	1.570	7	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a,6a]H)(C[6]C[6]N[6])	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]Ir)(C[6a]C[6a,6a]H)(C[6]C[6]N[6]){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]O[6a])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|B<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9135	0.261	2	121.0464	1.271	5	121.4371	1.570	7	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]C[6]2){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(Cl){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|Cl<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	122.2330	0.000	1	122.2330	0.000	1	122.2330	0.000	1	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){1|Cl<1>,2|H<1>,3|C<3>}	120.8630	1.425	4	120.8630	2.030	4	121.6429	3.898	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.0170	0.000	1	122.0170	0.000	1	121.6429	3.898	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	122.0351	2.350	7	122.0351	5.522	7	121.6429	3.898	12	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6]C[6a]B[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2){1|B<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[6]C[6a]B[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|F<1>,9|C<3>}	121.7045	0.760	2	121.7045	0.578	2	121.6480	0.430	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2){2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<3>,2|F<1>,8|C<3>}	121.5915	0.837	2	121.5915	0.700	2	121.6480	0.430	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2){1|B<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C){2|F<1>,7|C<3>}	122.5855	1.242	2	122.5855	1.544	2	122.5855	1.544	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(F)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(F){1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.1320	0.000	1	121.1320	0.000	1	121.4500	0.293	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	121.4270	0.000	1	121.4270	0.000	1	121.4500	0.293	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(C[6]O[6]O)2	C[6a](C[6a]C[6a]F)2(C[6]C[6]2){1|C<3>,2|F<1>,4|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|B<4>,2|C<3>,2|F<1>}	121.6205	0.848	2	121.6205	0.719	2	121.4500	0.293	4	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	120.1545	0.036	2	120.1545	0.001	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6]C[6a]O[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|F<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	120.1350	0.095	2	120.1350	0.009	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|B<6>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|C<5>,2|H<1>,3|B<6>,4|C<3>}	120.8890	0.942	2	120.8890	0.887	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|B<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<5>,2|H<1>,3|B<6>,7|C<3>}	121.5735	1.641	2	121.5735	2.694	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|B<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,2|H<1>,4|B<6>,7|C<3>}	120.6343	1.678	4	120.5929	2.278	8	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|B<6>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<6>,2|H<1>,3|B<6>,7|C<3>}	120.5515	1.579	4	120.5929	2.278	8	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|C<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|B<6>,4|C<3>}	121.1450	1.202	2	121.1450	1.445	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,4|B<6>,7|C<3>}	121.2000	2.960	2	121.2000	8.761	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	120.4625	0.114	2	120.4625	0.013	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	121.1860	0.095	2	121.1860	0.009	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	120.5235	0.762	2	120.5235	0.580	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	120.6930	0.728	2	120.6930	0.530	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	120.4518	0.565	4	120.4518	0.319	4	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	120.3320	1.670	2	120.3320	2.790	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	120.3685	3.381	2	120.3685	11.429	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Cu<4>,2|H<1>,2|N<3>,6|C<3>}	121.0298	2.884	4	120.5115	3.842	14	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Rh<6>,1|N<3>,2|H<1>,7|C<3>}	120.3315	1.824	8	120.5115	3.842	14	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	120.1950	0.392	2	120.5115	3.842	14	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	120.6975	1.104	2	120.4833	1.361	10	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Rh<6>,2|H<1>,8|C<3>}	120.4297	1.249	8	120.4833	1.361	10	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.2215	1.883	2	120.2215	3.546	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	120.7770	1.039	8	120.5252	1.387	18	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	120.2920	1.456	8	120.5252	1.387	18	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	120.4510	0.477	2	120.5252	1.387	18	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6]N[3,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]N[3,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	120.4865	0.794	2	120.4865	0.631	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	120.4845	1.507	2	120.4845	2.271	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|H<1>,7|C<3>}	120.7150	2.437	4	120.7150	5.939	4	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Ru<5>,2|H<1>,6|C<3>}	120.5785	1.102	2	120.5785	1.215	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.5495	0.954	2	120.5495	0.910	2	120.5742	1.804	92	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(H)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	117.2120	0.000	1	117.2120	0.000	1	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	119.8610	0.000	1	119.8610	0.000	1	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.6475	0.456	2	119.6475	0.208	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.0540	0.000	1	120.0540	0.000	1	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.5465	0.429	2	120.5465	0.184	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	121.7530	0.000	1	121.7530	0.000	1	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	121.4550	0.000	1	121.4550	0.000	1	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H){1|Ir<6>,2|H<1>,4|C<3>}	120.3988	1.525	4	120.3988	2.326	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	120.4475	0.781	2	120.4475	0.611	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|B<6>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){2|C<6>,2|H<1>,3|B<6>,3|C<3>}	121.0645	1.934	4	121.0645	3.739	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.9830	0.071	2	120.8620	0.287	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	120.7410	0.892	2	120.8620	0.287	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	121.0270	0.211	2	121.0270	0.044	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	121.0000	0.874	2	121.0000	0.764	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|H<1>,4|C<3>}	120.9630	0.512	2	120.9630	0.262	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	120.7290	0.102	2	120.7290	0.010	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Pt<4>,1|C<6>,3|C<3>,3|H<1>,4|B<6>}	120.2615	2.056	2	120.2615	4.225	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<6>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	120.9270	0.759	4	120.9270	0.575	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,1|C<4>,1|C<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	120.8535	0.653	2	120.8535	0.426	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	120.1995	0.275	2	120.1995	0.076	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	120.7790	1.261	2	120.7790	1.591	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	118.9510	0.000	1	120.3897	1.329	9	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	120.6815	2.271	2	120.3897	1.329	9	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	120.5322	0.789	6	120.3897	1.329	9	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N){1|C<4>,2|H<1>,6|C<3>}	120.9035	2.402	2	120.9035	5.770	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,6|C<3>}	120.4555	0.145	2	120.4555	0.021	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	120.7885	1.558	2	120.7885	2.427	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]N){2|H<1>,6|C<3>}	120.3130	0.341	2	120.3130	0.116	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.9195	0.950	2	120.6250	0.501	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Os<7>,1|N<4>,2|H<1>,3|C<3>}	120.3305	0.504	2	120.6250	0.501	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	120.5570	1.530	2	120.5570	2.341	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H){1|Ru<6>,2|H<1>,4|C<3>}	121.2347	0.976	4	120.9981	0.663	8	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H){1|Ru<6>,2|H<1>,4|C<3>}	120.7615	0.667	4	120.9981	0.663	8	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,4|C<3>}	120.4965	0.663	2	120.4965	0.439	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N){3|H<1>,4|C<3>}	121.3657	0.506	4	121.3657	0.256	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	120.1985	0.523	2	120.1985	0.273	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	120.6330	0.069	2	120.6330	0.005	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	120.7900	1.277	2	120.7900	1.631	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	121.0290	0.687	2	121.0242	1.327	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,4|C<3>,4|H<1>}	121.0195	1.873	2	121.0242	1.327	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]H){2|H<1>,6|C<3>}	120.2910	0.170	2	120.2910	0.029	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|C<3>,4|H<1>}	120.4380	1.901	2	120.4380	3.613	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H){1|Si<3>,1|Si<4>,3|H<1>,4|C<3>}	120.6707	0.769	4	120.6707	0.591	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<4>,2|H<1>,5|C<3>}	120.3290	0.301	2	120.3290	0.091	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]H){1|B<4>,2|H<1>,5|C<3>}	120.6880	0.752	2	120.6880	0.566	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	120.8935	2.907	2	120.8935	8.450	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<1>,2|H<1>,6|C<3>}	120.6710	1.075	4	120.6710	1.156	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	121.2652	0.970	4	121.2652	0.941	4	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|B<4>,3|C<3>,3|H<1>}	121.1745	0.293	2	121.1745	0.086	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<1>,1|S<1>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S){1|C<4>,2|H<1>,4|C<3>}	120.8005	1.869	2	120.8005	3.493	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|B<4>,3|C<3>,3|H<1>}	121.0985	0.670	2	121.0985	0.448	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	120.5557	1.398	6	120.5557	1.954	6	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	122.0970	0.948	2	122.0970	0.898	2	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]Ru)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]Ru){1|N<3>,2|H<1>,3|C<3>}	124.3780	0.000	1	124.3780	0.000	1	120.7389	1.147	127	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.9090	1.414	4	120.9090	1.999	4	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.0830	0.000	1	119.9387	0.022	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.8665	0.110	2	119.9387	0.022	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.5042	0.816	9	120.3504	0.664	11	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.6580	0.369	2	120.3504	0.664	11	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|C<2>,2|H<1>,3|C<3>}	117.0770	0.000	1	117.9345	1.471	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,4|C<3>}	118.7920	0.000	1	117.9345	1.471	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	116.9840	0.000	1	116.9840	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	118.0263	0.909	6	118.2446	1.135	10	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|H<1>,4|C<3>}	117.6200	0.000	1	118.2446	1.135	10	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,4|C<3>}	119.7570	0.000	1	118.2446	1.135	10	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,4|C<3>}	117.2230	0.000	1	118.2446	1.135	10	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,2|H<1>,4|C<3>}	119.6880	0.000	1	118.2446	1.135	10	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	120.1850	0.953	2	118.2604	1.529	9	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	117.4793	0.384	3	118.2604	1.529	9	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	117.8840	0.640	4	118.2604	1.529	9	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	118.1080	0.119	2	118.1110	0.007	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|S<4>,2|H<1>,3|C<3>}	118.1170	0.000	1	118.1110	0.007	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	116.6605	0.071	2	116.6605	0.005	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	121.4290	0.034	2	121.4290	0.001	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	118.7355	0.408	2	118.7355	0.166	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){1|Cl<1>,2|H<1>,3|C<3>}	120.2005	1.322	4	120.2005	1.747	4	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.5590	0.000	1	120.5590	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	118.9817	1.391	7	118.9817	1.934	7	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2){1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	120.5410	0.000	1	120.5410	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.5110	0.000	1	120.0385	0.557	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|N<3>,3|C<3>,3|H<1>}	120.5660	0.000	1	120.0385	0.557	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<2>,1|C<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	119.4810	0.000	1	119.4810	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.2090	0.000	1	120.2090	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.6360	0.000	1	118.6360	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,4|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.6950	0.434	2	120.6326	0.129	5	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|N<3>,3|C<3>,3|H<1>}	120.5910	0.397	3	120.6326	0.129	5	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	118.6215	0.234	2	118.8795	0.327	4	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	119.1375	0.812	2	118.8795	0.327	4	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	119.4903	1.018	3	119.4903	1.037	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	119.1493	0.306	3	119.1493	0.094	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|O<2>,2|H<1>,3|C<3>}	120.0270	0.000	1	120.0270	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.0280	1.489	2	119.7294	2.200	5	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.4890	0.000	1	119.7294	2.200	5	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.5510	0.611	2	119.7294	2.200	5	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	114.3110	0.000	1	118.3690	13.210	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.4710	0.000	1	118.3690	13.210	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	121.3250	0.000	1	118.3690	13.210	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<4>,2|H<1>,3|C<3>}	118.3620	0.000	1	118.3620	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	116.3260	0.000	1	116.3260	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|N<2>,2|C<3>,3|H<1>}	121.1570	0.069	2	121.1570	0.005	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|N<2>,3|C<3>,3|H<1>}	124.4035	0.457	2	124.4035	0.209	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.7976	0.651	7	121.7976	0.424	7	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.3880	0.643	2	120.3880	0.414	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	120.6058	0.495	4	120.6058	0.245	4	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,3|C<3>,3|H<1>}	120.3907	0.837	4	120.7754	0.608	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,3|C<3>,3|H<1>}	121.9080	0.000	1	120.7754	0.608	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,3|C<3>,3|H<1>}	121.2940	0.000	1	120.7754	0.608	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	120.6980	0.000	1	120.7754	0.608	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	120.7400	0.000	1	120.7754	0.608	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.5422	1.021	8	120.8675	0.753	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.6150	0.000	1	120.8675	0.753	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.4035	0.901	4	120.8675	0.753	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.2670	0.291	2	120.8675	0.753	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.0783	0.313	3	120.8675	0.753	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.5953	0.264	4	120.8675	0.753	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.0520	0.233	2	120.8675	0.753	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	120.4660	1.240	2	120.4660	1.538	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,3|H<1>}	119.4870	0.000	1	119.4870	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,2|F<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O){1|B<4>,2|C<3>,2|H<1>}	119.9775	0.330	2	119.9775	0.109	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]O)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|F<1>,4|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|B<4>,2|C<3>,2|H<1>}	120.3840	1.113	2	120.3840	1.239	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.1160	0.317	2	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.5375	0.589	2	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	121.5700	0.467	2	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	120.5865	1.595	2	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	120.9565	2.077	2	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.5363	0.661	3	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.6058	0.900	4	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	120.7032	0.665	6	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	120.4350	1.072	4	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	120.6245	1.143	4	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|P<3>,2|H<1>,4|C<3>}	120.8729	1.190	8	120.7437	0.868	39	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>,6|H<1>}	120.9360	0.298	2	120.9360	0.089	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	120.8452	1.848	4	120.8452	3.416	4	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	121.0305	0.111	2	121.0305	0.012	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.6590	1.162	2	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.7170	0.470	2	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.5910	0.607	2	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	120.2045	1.190	2	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.5470	0.000	1	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Pd<4>,3|H<1>,4|C<3>}	120.8610	0.129	2	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.1925	0.933	2	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	120.1997	1.434	4	120.6351	0.820	17	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	120.4535	0.196	2	121.0370	0.240	32	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	121.1317	0.405	26	121.0370	0.240	32	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,5|C<3>}	120.8680	1.213	2	121.0370	0.240	32	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	120.5590	0.626	2	121.0370	0.240	32	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<6>,3|C<3>,3|H<1>}	120.1410	0.184	2	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	120.8385	0.304	4	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	121.1831	0.288	7	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	121.6245	1.699	2	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,3|C<3>,3|H<1>}	121.6142	2.033	4	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,3|C<3>,3|H<1>}	121.3419	0.643	8	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	121.1163	0.837	4	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	121.3320	2.946	8	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	121.7840	0.074	2	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,3|C<3>,3|H<1>}	120.7268	0.660	18	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	120.6696	0.726	8	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	121.1055	2.381	2	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<6>,3|C<3>,3|H<1>}	121.3037	0.562	4	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	121.1133	0.391	6	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,3|C<3>,3|H<1>}	121.0900	0.000	1	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,3|C<3>,3|H<1>}	120.7030	0.000	1	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	121.0880	0.000	1	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	120.5420	0.000	1	121.0484	1.345	83	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|C<2>,2|H<1>,4|C<3>}	120.3450	0.208	2	120.3450	0.043	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]N){3|C<3>,3|H<1>}	121.1475	3.468	2	121.1475	12.030	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	120.6555	2.191	2	120.6555	4.802	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|C<4>,1|U<8>,2|H<1>,4|C<3>}	120.4843	1.817	8	120.5474	2.448	40	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Mn<6>,1|C<4>,2|H<1>,4|C<3>}	120.5018	0.884	4	120.5474	2.448	40	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	120.3475	1.408	8	120.5474	2.448	40	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Rh<6>,1|C<4>,2|H<1>,4|C<3>}	120.6061	1.597	12	120.5474	2.448	40	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<15>,1|C<4>,2|H<1>,4|C<3>}	120.7203	2.890	4	120.5474	2.448	40	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|P<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<16>,1|C<4>,2|H<1>,4|C<3>}	120.7700	0.878	4	120.5474	2.448	40	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.5475	1.221	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|H<1>,4|C<3>}	121.7265	0.327	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,4|C<3>}	121.2265	1.993	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	119.5730	0.000	1	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.7350	0.000	1	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.4520	0.000	1	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.0945	0.827	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.9582	0.382	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.5888	1.130	32	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	121.0030	0.363	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.8945	0.871	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	121.1550	0.856	12	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	120.6640	0.828	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.5885	1.296	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8895	0.302	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.9287	0.897	84	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.2580	0.571	6	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	121.1170	0.390	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.9554	0.426	12	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.8372	0.512	8	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	120.2770	0.337	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.6953	0.884	8	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.0092	1.015	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.1330	2.061	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8417	0.865	15	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.6290	1.119	61	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<2>,2|H<1>,4|C<3>}	122.0345	0.677	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	121.1645	0.732	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.6075	1.172	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.2892	0.593	18	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	121.3743	0.547	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	121.7480	1.895	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.2740	2.131	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	121.3105	0.873	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.4235	0.005	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.9980	1.041	50	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.1018	0.763	52	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.9663	0.972	6	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.8465	0.811	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.8197	0.108	3	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8798	0.763	152	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.8433	0.625	114	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.7774	1.424	22	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<4>,2|H<1>,4|C<3>}	121.4555	1.015	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<1>,1|P<3>,2|H<1>,3|C<3>}	120.9885	0.264	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,1|P<2>,2|H<1>,3|C<3>}	120.6115	0.532	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2800	0.194	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	121.1460	0.728	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	120.5815	0.462	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	120.9566	0.627	18	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	121.0346	0.887	8	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	120.9585	1.232	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7287	0.171	3	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.2848	0.232	4	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.9405	0.163	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	121.2970	0.396	2	120.9875	0.770	773	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|In<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	119.3035	1.111	2	119.3035	1.234	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	121.0907	1.144	4	121.0907	1.308	4	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	120.9780	0.755	2	120.7812	1.581	6	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.5755	2.657	2	120.7812	1.581	6	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.7900	0.339	2	120.7812	1.581	6	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	120.8695	0.910	2	120.8695	0.828	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Ta)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Ta<10>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Ta)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.0200	0.594	2	121.0200	0.353	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,3|H<1>}	120.8351	0.775	56	120.8162	0.578	60	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,4|H<1>}	120.5507	0.509	4	120.8162	0.578	60	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	120.9805	0.421	2	121.4960	0.886	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,3|H<1>}	122.5270	0.000	1	121.4960	0.886	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<1>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	120.7700	0.133	2	120.7700	0.018	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|S<1>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	121.0355	1.295	2	121.0355	1.676	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|C<4>,2|H<1>,3|C<3>}	120.9215	2.835	2	121.0765	1.671	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|P<3>,2|H<1>,4|C<3>}	121.0305	0.381	2	121.0765	1.671	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|As<2>,2|H<1>,4|C<3>}	120.7220	3.543	2	121.0765	1.671	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|As<3>,2|H<1>,4|C<3>}	121.2705	0.009	2	121.0765	1.671	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|Ga<4>,2|H<1>,4|C<3>}	121.0680	1.465	2	121.0765	1.671	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<4>,2|H<1>,4|C<3>}	121.1629	1.137	12	121.0765	1.671	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<5>,2|H<1>,4|C<3>}	120.9285	0.907	2	121.0765	1.671	24	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C){1|C<4>,2|H<1>,3|C<3>}	120.0060	0.619	2	120.0060	0.384	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	120.7895	1.190	2	120.7895	1.416	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]C)2{1|B<4>,2|C<3>,2|H<1>}	120.2865	0.204	2	120.2865	0.042	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,1|P<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){2|H<1>,4|C<3>}	120.6975	0.835	4	120.5881	0.764	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,1|P<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){1|S<1>,2|H<1>,4|C<3>}	120.4788	1.026	4	120.5881	0.764	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.8160	0.000	1	119.8160	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8050	0.000	1	121.4665	0.875	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	122.1280	0.000	1	121.4665	0.875	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[5])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N[5])(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.2440	0.000	1	120.2440	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<6>,3|C<3>,3|H<1>}	120.1285	0.476	2	120.1285	0.226	2	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.4000	0.000	1	120.2969	0.317	7	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.1130	0.311	6	120.2969	0.317	7	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.2490	0.000	1	121.0547	0.048	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.9575	0.196	2	121.0547	0.048	3	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[5])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[5])(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.3780	0.000	1	122.3780	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	121.3663	0.527	6	121.3663	0.278	6	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.0087	0.690	6	120.9936	0.373	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.9485	0.473	2	120.9936	0.373	8	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	120.9915	2.262	2	121.0743	1.161	6	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<6>,3|C<3>,3|H<1>}	121.1157	0.472	4	121.0743	1.161	6	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.9755	0.878	2	121.4448	0.483	320	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.5111	0.650	270	121.4448	0.483	320	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.0613	0.809	38	121.4448	0.483	320	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	121.1514	0.729	8	121.4448	0.483	320	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.0410	0.000	1	121.4448	0.483	320	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	122.8050	0.000	1	121.4448	0.483	320	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.6130	0.828	12	120.6130	0.686	12	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.7497	0.756	12	120.8042	0.609	16	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.7210	1.369	2	120.8042	0.609	16	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.7610	0.000	1	120.8042	0.609	16	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.6680	0.000	1	120.8042	0.609	16	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.6100	0.000	1	118.6100	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.2450	0.000	1	119.2450	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	118.3270	0.000	1	118.3270	0.000	1	120.9397	1.105	1657	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|Co<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.8310	0.000	1	117.8310	0.000	1	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|Zn<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.1070	0.000	1	117.1070	0.000	1	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	120.2063	1.387	4	120.0518	1.212	6	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	119.7430	0.013	2	120.0518	1.212	6	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)2{1|C<4>,2|C<3>,6|H<1>}	119.8725	2.674	2	119.7165	1.561	6	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)2{1|C<4>,2|C<3>,6|H<1>}	119.6385	0.442	4	119.7165	1.561	6	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|Fe<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)2{2|C<4>,2|H<1>,3|C<3>}	119.9910	0.876	4	119.9910	0.768	4	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	119.9447	0.633	99	119.9447	0.400	99	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]O)2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	120.2535	1.263	4	120.2535	1.594	4	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)2	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|Zn<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	120.4215	0.651	2	120.4215	0.424	2	119.9178	0.609	123	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.9830	0.000	1	122.9830	0.000	1	125.6975	14.737	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(N[6]C[6]N)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(C[6]N[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(N[6]C[6]N){1|H<1>,1|O<1>,4|C<3>}	128.4120	0.000	1	128.4120	0.000	1	125.6975	14.737	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:N[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2){2|Ga<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>,4|N<3>}	120.5240	1.567	2	120.5240	2.455	2	120.5240	2.455	2	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	118.8730	0.000	1	118.8730	0.000	1	120.2833	0.382	9	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]N[6a]O)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]N[6a]O)2(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,2|N<3>,2|O<1>}	120.7755	0.235	2	120.4596	0.117	8	120.2833	0.382	9	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]N[6a]O)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]N[6a]O)2(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|O<1>,3|N<3>}	120.3543	0.315	6	120.4596	0.117	8	120.2833	0.382	9	121.6536	5.753	6915	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	120.4490	0.000	1	120.4490	0.000	1	120.5329	1.257	15	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,5|C<3>}	120.3212	1.358	8	120.3212	1.845	8	120.5329	1.257	15	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,5|C<3>}	120.5810	0.794	4	120.5810	0.630	4	120.5329	1.257	15	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	121.3250	1.078	2	121.3250	1.161	2	120.5329	1.257	15	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|Si<4>,2|C<4>,3|C<3>,4|H<1>}	121.3227	1.710	4	121.2138	2.309	6	121.0787	1.182	12	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.9960	1.624	2	121.2138	2.309	6	121.0787	1.182	12	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<3>,3|H<1>,5|C<3>}	120.9995	0.783	2	120.9995	0.613	2	121.0787	1.182	12	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	120.8690	0.549	2	120.8690	0.301	2	121.0787	1.182	12	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	120.9620	0.556	2	120.9620	0.309	2	121.0787	1.182	12	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,4|C<4>,5|C<3>}	120.9075	0.045	2	120.9075	0.002	2	120.9075	0.002	2	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:P[6]-4:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO){3|H<1>,4|C<3>}	121.0847	0.626	4	120.8937	1.202	8	120.8937	1.202	8	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:P[6]-4:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO){3|H<1>,4|C<3>}	120.7670	2.510	2	120.8937	1.202	8	120.8937	1.202	8	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:P[6]-4:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO){3|H<1>,4|C<3>}	120.6385	0.794	2	120.8937	1.202	8	120.8937	1.202	8	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-4:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO){1|S<4>,2|H<1>,3|C<3>}	120.7955	1.927	2	120.7955	3.713	2	121.2020	3.191	4	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:S[6]-4:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]N[6]OO)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(S[6]N[6]OO){3|H<1>,4|C<3>}	121.6085	2.280	2	121.6085	5.200	2	121.2020	3.191	4	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH){1|H<1>,2|C<4>,5|C<3>}	117.6990	0.000	1	117.6990	0.000	1	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH){1|H<1>,2|C<4>,5|C<3>}	119.0475	1.005	2	119.0475	1.010	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH){1|S<4>,2|H<1>,3|C<3>}	120.9510	0.206	2	120.9510	0.043	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	121.8665	0.578	2	121.8665	0.334	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	121.8455	0.735	2	121.8455	0.540	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH){2|C<4>,3|H<1>,4|C<3>}	120.9535	1.992	2	120.9535	3.968	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	122.1850	1.113	2	122.1850	1.239	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	120.8287	0.672	4	120.8287	0.451	4	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	120.9495	0.301	2	120.9495	0.090	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH){4|H<1>,6|C<3>}	120.8040	0.943	2	120.8040	0.890	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH){4|C<3>,4|H<1>}	121.1070	0.608	2	121.1070	0.370	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	121.4905	0.424	2	121.2182	0.422	4	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	120.9460	0.890	2	121.2182	0.422	4	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|H<1>,7|C<3>}	120.7310	0.742	8	120.7181	0.416	16	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|H<1>,6|C<3>}	120.6942	0.726	4	120.7181	0.416	16	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|C<4>,4|C<3>,4|H<1>}	120.7163	0.517	4	120.7181	0.416	16	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	120.8910	1.072	2	120.8910	1.149	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,4|H<1>,5|C<3>}	121.0390	0.249	4	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	120.4465	0.629	2	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.1510	1.000	2	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	120.8035	0.134	2	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	121.1843	0.446	4	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	121.2115	0.015	2	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,6|H<1>}	121.3460	1.271	2	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	120.8995	1.166	2	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,5|C<3>,5|H<1>}	121.0772	0.204	4	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|Si<4>,1|C<4>,4|C<3>,4|H<1>}	121.1355	1.098	2	121.0457	0.309	26	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	120.4935	0.764	2	120.4935	0.584	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	120.7687	0.922	4	120.7687	0.850	4	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	121.1170	0.597	2	121.1170	0.356	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN){1|S<4>,3|H<1>,5|C<3>}	120.7445	4.765	2	120.7445	22.707	2	120.9080	0.983	81	120.8989	1.082	123	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	121.3825	3.911	2	121.0270	9.472	4	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	120.6715	3.552	2	121.0270	9.472	4	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|N<3>,4|C<3>,4|H<1>}	121.3120	1.549	2	121.3120	2.398	2	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]N[6]){3|C<3>,5|H<1>}	121.7043	1.412	4	121.7043	1.994	4	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	120.8605	1.026	2	120.8605	1.053	2	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	121.0745	0.098	2	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	121.3025	0.743	2	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	121.0405	0.317	2	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	121.0055	0.763	6	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){3|C<3>,5|H<1>}	120.9780	0.968	4	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.1470	1.434	2	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|S<4>,2|H<1>,4|C<3>}	120.8035	0.269	2	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<2>,2|H<1>,4|C<3>}	120.6397	0.174	4	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<2>,3|C<3>,3|H<1>}	120.7520	0.249	2	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]){1|C<4>,2|H<1>,4|C<3>}	120.9435	0.969	2	120.9511	0.389	28	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	120.8215	0.856	2	120.8215	0.733	2	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(N[6]N[6]){3|C<3>,3|H<1>}	120.6280	1.737	4	120.6280	3.016	4	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6]){1|N<3>,2|H<1>,4|C<3>}	120.7645	1.436	2	120.8053	1.158	4	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	120.8460	1.185	2	120.8053	1.158	4	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	120.5420	0.953	2	120.5420	0.909	2	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6]){2|H<1>,3|C<3>}	120.6375	1.511	2	120.8690	0.628	6	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6]){3|C<3>,3|H<1>}	120.8720	0.486	2	120.8690	0.628	6	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(N[6]N[6]){3|C<3>,3|H<1>}	121.0975	0.640	2	120.8690	0.628	6	120.9582	1.213	58	120.9582	1.213	58	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6a]C[6]Pt)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Pt<6>,1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6a]C[6]Pt)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|H<1>,6|C<3>}	116.6095	1.463	2	116.6095	2.140	2	116.6095	2.140	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-3:C[6]-4:C[6a]-3:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	121.3090	0.573	2	121.3090	0.328	2	121.3090	0.328	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]MoH)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<7>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]MoH)(C[6a]C[6a]2){1|Si<4>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	119.6225	0.674	2	119.6225	0.454	2	119.6225	0.454	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6a]-3:	C[6a](C[6]C[6,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6]C[6,6]2)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2){4|H<1>,5|C<3>,5|C<4>}	121.0610	0.864	2	121.0610	0.747	2	121.0610	0.747	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6a]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){3|C<3>,3|C<4>,6|H<1>}	121.3950	2.451	2	121.3950	6.007	2	121.3950	6.007	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[3,6]-4:C[6a]-3:	C[6a](C[6]C[3,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2)	C[6a](C[6]C[3,6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	120.6355	1.470	2	120.6355	2.161	2	120.6355	2.161	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:Si[6]-4:C[6a]-3:	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(C[6a]C[6a]2)	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(Si[6]C[6]CC)(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.7650	1.796	2	120.7650	3.226	2	120.8397	1.867	6	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:Si[6]-4:C[6a]-3:	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(Si[6]Si[6]CC)(C[6a]C[6a]2)	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2{1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(Si[6]Si[6]CC)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.8770	1.425	4	120.8770	2.030	4	120.8397	1.867	6	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]Rh)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]Rh){1|C<4>,2|C<3>,5|H<1>}	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H)	C[6a](C[6]C[6]S[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H){2|H<1>,4|C<3>}	120.6845	2.507	2	120.6845	6.284	2	120.6845	6.284	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]H){2|O<2>,3|C<3>,4|H<1>}	118.7620	0.000	1	118.7620	0.000	1	119.7290	1.870	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	120.6960	0.000	1	120.6960	0.000	1	119.7290	1.870	2	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	122.2090	0.000	1	122.2090	0.000	1	121.9083	0.121	3	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.5280	0.000	1	121.7580	0.106	2	121.9083	0.121	3	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.9880	0.000	1	121.7580	0.106	2	121.9083	0.121	3	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.0427	0.998	3	124.0427	0.996	3	124.0427	0.996	3	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2){1|B<4>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	121.9555	0.571	4	121.9555	0.327	4	122.8785	1.129	8	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<4>,2|C<3>,2|F<1>,4|H<1>}	123.8015	0.192	4	123.8015	0.037	4	122.8785	1.129	8	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){10|C<3>,2|H<1>}	121.3330	0.191	2	121.1258	0.674	6	121.1686	0.820	12	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){10|C<3>,2|H<1>}	121.0222	1.034	4	121.1258	0.674	6	121.1686	0.820	12	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	121.3847	1.286	4	121.3847	1.654	4	121.1686	0.820	12	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	120.8645	0.556	2	120.8645	0.310	2	121.1686	0.820	12	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	120.4560	0.000	1	120.4560	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.9530	0.000	1	120.8530	0.020	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.7530	0.000	1	120.8530	0.020	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	119.4130	0.000	1	119.4130	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,3|H<1>}	120.0090	0.000	1	120.0090	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.9663	0.303	3	118.9663	0.092	3	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.2530	0.000	1	119.2530	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.0580	0.000	1	119.0580	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	121.3500	0.000	1	121.3500	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	120.7135	1.852	2	120.7135	3.430	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.0820	1.834	2	121.0820	3.364	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|B<4>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]B){1|N<3>,2|C<3>,6|H<1>}	121.0170	0.907	2	121.0170	0.822	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	120.3500	1.182	2	120.3500	1.398	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|Pd<5>,1|C<4>,3|C<3>,3|H<1>}	121.4375	0.640	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	120.5735	1.039	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	121.0230	0.816	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	120.7830	0.711	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	121.3395	0.083	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|Pd<5>,1|C<4>,3|C<3>,3|H<1>}	120.6480	0.206	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	121.1860	1.448	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	121.6315	2.102	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	121.2600	0.697	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.3965	0.329	4	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	121.1585	0.045	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	121.7120	0.576	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	121.3570	1.189	2	121.2073	0.550	28	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]N){1|N<3>,2|C<3>,6|H<1>}	120.7475	0.460	2	120.7475	0.212	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|O<2>,2|C<3>,6|H<1>}	120.9055	1.165	2	120.6358	2.446	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|N<3>,2|C<3>,6|H<1>}	120.5900	2.734	2	120.6358	2.446	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	120.4120	1.775	2	120.6358	2.446	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.5530	2.427	2	121.0370	3.730	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|F<1>,3|H<1>,4|C<3>}	121.2485	3.034	2	121.0370	3.730	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	121.3095	1.688	2	121.0370	3.730	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.2035	1.385	2	120.7363	4.461	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.8400	1.450	2	120.7363	4.461	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	121.1655	4.163	2	120.7363	4.461	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	120.8880	0.000	1	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,5|H<1>}	121.1030	0.498	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	121.6535	0.858	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	121.3315	1.331	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	121.4710	0.643	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.9690	1.182	4	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	121.9845	0.540	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	121.7040	0.335	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	120.3230	0.000	1	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.2025	0.817	6	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.0770	0.554	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<1>,3|H<1>,4|C<3>}	121.3280	1.061	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	121.6260	1.048	3	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.8000	0.049	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<3>}	121.2075	0.564	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.4305	0.420	4	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.5790	1.028	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.4660	0.785	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.1071	0.564	14	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<3>}	120.6730	0.202	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.8975	0.982	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.2705	1.470	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	121.3655	0.165	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	121.2140	0.006	2	121.2635	0.464	67	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.5643	0.959	4	120.5643	0.920	4	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	120.9640	0.563	2	120.7670	3.781	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){3|C<3>,5|H<1>}	120.6685	2.481	4	120.7670	3.781	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.8320	0.354	2	120.8320	0.125	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N){1|S<4>,2|H<1>,4|C<3>}	120.6240	0.513	2	120.6240	0.264	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]N){1|C<4>,2|C<3>,4|H<1>}	121.1140	0.853	2	121.1140	0.727	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	121.0360	0.652	8	121.0360	0.425	8	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	121.1275	1.240	2	121.1176	0.799	7	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	121.4960	0.334	4	121.1176	0.799	7	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	119.5840	0.000	1	121.1176	0.799	7	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C){1|C<4>,2|C<3>,6|H<1>}	121.3820	1.670	2	121.3820	2.790	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	121.0660	1.745	4	121.0597	2.967	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	121.0470	2.387	2	121.0597	2.967	6	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	120.6079	0.709	10	120.6079	0.503	10	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	121.3060	0.014	2	121.3060	0.000	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,4|H<1>}	120.6810	0.791	2	120.6810	0.625	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	121.1865	1.371	2	121.1865	1.880	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]HO)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.0115	0.906	2	121.0115	0.820	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	121.3285	0.556	2	121.3285	0.310	2	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	120.4550	0.000	1	120.4550	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.1240	0.000	1	121.1240	0.000	1	120.9989	1.032	195	121.0649	1.470	244	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]F)2(C[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,1|N<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	123.2490	0.383	2	123.2490	0.147	2	123.2490	0.147	2	123.2490	0.147	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	120.6140	2.408	2	120.6140	5.800	2	120.4932	1.838	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	120.4327	1.056	4	120.4327	1.115	4	120.4932	1.838	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6]){1|N<2>,2|H<1>,5|C<3>}	120.1215	2.998	4	120.1215	8.991	4	120.4612	6.623	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6]){3|C<4>,4|C<3>,5|H<1>}	121.1405	2.181	2	121.1405	4.759	2	120.4612	6.623	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6]){10|C<3>,2|H<1>}	121.1535	5.129	2	121.1535	26.303	2	121.0460	9.785	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]N[6]){2|C<3>,3|C<4>,6|H<1>}	121.8150	0.000	1	121.8150	0.000	1	121.0460	9.785	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]N[6,6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]N[6,6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){3|C<4>,4|C<3>,5|H<1>}	120.9185	4.631	2	120.9185	21.445	2	121.0460	9.785	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]N[6]){2|C<3>,3|C<4>,6|H<1>}	120.3170	0.000	1	120.3170	0.000	1	121.0460	9.785	6	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){1|O<2>,2|H<1>,6|C<3>}	121.9470	0.445	2	121.9470	0.198	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.3740	0.000	1	121.3740	0.000	1	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(N[6]N[6]){2|C<4>,2|H<1>,4|C<3>}	120.4895	2.147	2	120.4895	4.612	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[4]N[6]H)(C[6a]C[6a]2)(N[6]N[6]){1|S<2>,4|C<3>,4|H<1>}	120.8825	0.691	2	120.8825	0.477	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,3|H<1>,4|C<3>}	120.8350	1.663	2	121.0480	1.023	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.2610	0.351	2	121.0480	1.023	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]O[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]O[6]){2|C<4>,2|H<1>,3|C<3>}	120.4515	0.805	6	120.4515	0.648	6	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5]N[6]H)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5]N[6]H)(C[6a]C[6a]2)(N[6]N[6]){1|Mn<8>,2|H<1>,3|C<3>,3|C<4>}	120.7370	1.121	2	120.7370	1.258	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.8555	1.039	2	120.8555	1.079	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.6202	0.519	4	120.6202	0.270	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.7995	2.712	4	120.7995	7.354	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.8525	2.657	2	120.8533	3.934	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	120.8540	2.178	2	120.8533	3.934	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	121.1010	1.765	2	121.1010	3.115	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(N[6]Si[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	120.8885	3.151	4	120.8885	9.931	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]TiC)(C[6a]C[6a]2)(N[6]Si[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|Ti<13>,1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]TiC)(C[6a]C[6a]2)(N[6]Si[6]){2|C<4>,2|H<1>,3|C<3>}	120.6037	1.424	4	120.6037	2.029	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,9|C<3>}	121.5370	1.782	2	121.5370	3.175	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,8|C<3>}	121.1680	3.461	2	121.1680	11.976	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	120.9410	2.103	2	120.9410	4.422	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]N[6]){3|H<1>,5|C<3>}	120.6710	3.158	2	120.6710	9.973	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,7|C<3>}	120.9905	2.150	2	120.6845	1.775	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	120.3785	0.571	2	120.6845	1.775	4	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|S<4>,2|H<1>,6|C<3>}	120.9725	2.044	2	120.9725	4.179	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]N[6,6]){1|C<4>,2|H<1>,5|C<3>}	120.8475	0.192	2	120.8475	0.037	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]O)(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]O)(C[6a]C[6a]2)(N[6]N[6]){4|H<1>,5|C<3>}	120.6765	2.932	2	120.6765	8.599	2	120.8480	2.356	61	120.8067	3.005	79	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,5|H<1>,6|C<3>}	139.6420	0.000	1	139.6420	0.000	1	127.1327	117.874	3	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.8780	1.011	2	120.8780	1.022	2	127.1327	117.874	3	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	121.8885	0.112	2	121.8885	0.013	2	121.8885	0.013	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[4,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]B[4,6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2)	C[6a](C[6]B[4,6]C[6])(C[6a]C[6a]F)2{1|Si<4>,1|P<4>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2){2|F<1>,9|C<3>}	122.1230	0.034	2	122.1230	0.001	2	122.1230	0.001	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]B[5,6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](B[5,6]C[5,6]C[6a]N[5])(C[6]C[6,6a]Si)(C[6a]C[6a]2)	C[6a](C[6]B[5,6]C[6])(C[6a]C[6a]F)2{1|Si<4>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[6](B[5,6]C[5,6]C[6a]N[5])(C[6]C[6,6a]Si)(C[6a]C[6a]2){1|O<1>,1|P<4>,2|F<1>,7|C<3>}	122.5120	0.758	2	122.5120	0.575	2	122.5120	0.575	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]B[6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6a](C[6]B[6]C[6])(C[6a]C[6a]F)2{1|S<3>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|B<4>,2|C<3>,2|F<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2){10|C<3>,1|H<1>,2|F<1>}	122.0125	0.931	4	122.0125	0.867	4	122.0125	0.867	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5,6]2)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,2|N<2>,8|C<3>}	121.8570	1.099	2	121.8570	1.207	2	121.8570	1.207	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]F)2{2|C<3>,2|C<4>,4|F<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<4>,2|C<3>,2|F<1>}	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F){1|C<4>,1|O<1>,2|H<1>,3|F<1>,4|C<3>}	121.7203	1.409	4	121.7203	1.984	4	121.7203	1.984	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	As[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](As[6]C[6]CuC)(C[6a]C[6a]2)(C[6]As[6]H)	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2{1|As<4>,1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|As<4>,2|C<3>,2|H<1>}	C[6](As[6]C[6]CuC)(C[6a]C[6a]2)(C[6]As[6]H){1|Cu<4>,1|C<4>,3|C<3>,3|H<1>}	121.0799	0.514	10	121.0799	0.264	10	121.0799	0.264	10	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[3x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[3x6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,6|H<1>}	121.1260	0.986	2	121.1260	0.972	2	121.1260	0.972	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[4,5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[3,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6]C[4,5,6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[3,6]C[6a])(C[6a]C[6a]2){1|O<2>,3|C<4>,4|H<1>,7|C<3>}	120.8770	0.373	2	120.8770	0.139	2	120.8770	0.139	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	121.0795	1.924	2	121.0795	3.702	2	121.0795	3.702	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[4,6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	121.0670	0.127	2	121.0670	0.016	2	121.0670	0.016	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5,6,6]C[5,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6,6]C[5,6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	120.4330	0.994	2	120.4330	0.988	2	120.4330	0.988	2	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2{1|Zr<13>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){3|C<3>,4|C<4>,5|H<1>}	121.5910	0.679	2	121.1488	0.701	6	121.1488	0.701	6	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]2)(C[6a]C[6a]H)2{1|Zr<14>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){3|C<3>,4|C<4>,5|H<1>}	120.9278	0.905	4	121.1488	0.701	6	121.1488	0.701	6	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	120.9195	2.412	2	120.9195	5.817	2	120.7343	2.055	14	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Fe<10>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	120.4480	0.014	2	120.4480	0.000	2	120.7343	2.055	14	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	120.6370	1.346	2	120.6370	1.813	2	120.7343	2.055	14	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.7110	2.361	4	120.7110	5.575	4	120.7343	2.055	14	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	120.5935	1.315	2	120.8568	0.683	4	120.7343	2.055	14	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	121.1200	0.212	2	120.8568	0.683	4	120.7343	2.055	14	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.1240	0.907	2	120.1240	0.822	2	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	119.7795	0.142	2	119.7795	0.020	2	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Ti<13>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	120.7166	1.287	10	120.7166	1.657	10	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	121.1175	2.355	2	121.1175	5.548	2	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	121.2488	1.321	4	121.2488	1.744	4	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]S){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	120.4195	0.878	2	120.4195	0.770	2	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	121.8025	1.375	2	121.4367	1.702	6	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	121.2835	1.295	2	121.4367	1.702	6	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,5|C<3>,5|H<1>}	121.2240	2.130	2	121.4367	1.702	6	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	121.2760	0.119	2	121.1714	0.448	14	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	121.3035	1.008	6	121.1714	0.448	14	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	121.1075	0.383	2	121.1714	0.448	14	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	120.7220	0.033	2	121.1714	0.448	14	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	121.1840	0.206	2	121.1714	0.448	14	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Zr<12>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	121.0630	0.861	2	120.9873	0.735	6	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Zr<13>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	120.7835	0.609	2	120.9873	0.735	6	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Zr<13>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	121.1155	1.561	2	120.9873	0.735	6	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	121.0730	2.431	2	121.0730	5.910	2	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	120.8280	1.657	2	120.8280	2.747	2	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|N<3>,4|C<3>,5|H<1>}	120.9562	0.846	4	120.9562	0.716	4	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	120.8965	1.616	4	120.8638	2.662	18	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	120.6635	1.975	2	120.8638	2.662	18	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,5|C<3>}	120.6478	2.741	4	120.8638	2.662	18	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	121.5610	1.319	2	120.8638	2.662	18	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	121.1315	0.606	2	120.8638	2.662	18	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	120.6085	2.474	2	120.8638	2.662	18	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.7210	1.090	2	120.8638	2.662	18	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	120.8415	1.436	2	120.8415	2.062	2	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	121.3045	2.239	4	121.3045	5.015	4	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.4775	0.720	4	120.4775	0.519	4	120.9282	1.558	84	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	120.5780	0.262	2	120.5780	0.068	2	120.5048	0.352	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]S[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.4315	0.982	2	120.4315	0.965	2	120.5048	0.352	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	120.6340	0.095	2	120.6340	0.009	2	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	121.1150	0.006	2	121.1150	0.000	2	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	120.9500	1.062	2	121.1115	2.977	4	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	121.2730	2.775	2	121.1115	2.977	4	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	121.3270	1.236	2	121.3270	1.528	2	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	120.7070	1.059	4	120.7070	1.121	4	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	120.4670	1.631	2	120.5000	1.483	4	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|Se<2>,1|C<4>,1|O<2>,4|C<3>,5|H<1>}	120.5330	1.336	2	120.5000	1.483	4	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|Ru<11>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	120.5615	0.606	2	120.5615	0.367	2	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N)	C[6a](C[6]C[6,6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.4115	1.524	4	120.4115	2.322	4	120.7581	1.212	24	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:N[6]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]N[6]Re)(N[6]C[6,6a]Re)(C[6a]C[6a]2)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Re)(C[6a]C[6a]H){1|Re<8>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Re)(N[6]C[6,6a]Re)(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	123.9590	0.000	1	123.9590	0.000	1	123.9590	0.000	1	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]Ge[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](Ge[4,6]Ge[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Ge[6]H)	C[6a](C[6]Ge[4,6]C[6])(C[6a]C[6a]H)2{1|Si<4>,2|Ge<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[6](Ge[4,6]Ge[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Ge[6]H){5|Si<4>,2|C<4>,2|H<1>,4|C<3>}	120.8620	0.314	2	120.8620	0.099	2	120.9435	0.208	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]Ge[4,6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](Ge[4,6]Si[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6a](C[6]Ge[4,6]C[6])(C[6a]C[6a]H)2{3|Si<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ge<4>,2|C<3>,2|H<1>}	C[6](Ge[4,6]Si[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Si[6]H){5|Si<4>,2|C<4>,2|H<1>,4|C<3>}	121.0250	0.706	2	121.0250	0.498	2	120.9435	0.208	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]P)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]P){1|C<4>,4|H<1>,8|C<3>}	120.9185	2.524	2	120.9185	6.369	2	120.9973	2.378	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](P[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]B[6]H)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]B[6]H){1|C<4>,4|H<1>,6|C<3>}	121.0760	0.860	2	121.0760	0.739	2	120.9973	2.378	4	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](Si[6]C[6]CC)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[6](Si[6]C[6]CC)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,5|C<3>}	121.1825	0.640	2	121.1825	0.410	2	121.3860	0.125	6	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](Si[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]Ti)	C[6a](C[6]Si[6]C[6])(C[6a]C[6a]H)2{1|Ti<13>,1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[6](Si[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]Ti){2|H<1>,4|C<3>}	121.4878	0.174	4	121.4878	0.030	4	121.3860	0.125	6	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	119.7210	0.000	1	119.7210	0.000	1	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	119.3410	2.116	4	119.3410	4.479	4	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	119.5590	0.000	1	119.5590	0.000	1	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.7395	0.565	2	121.7395	0.319	2	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.0110	0.949	2	121.0110	0.900	2	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.4210	1.329	2	121.6015	1.213	4	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.7820	1.319	2	121.6015	1.213	4	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.0305	4.403	2	121.0305	19.388	2	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]O[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,6|C<3>}	121.1990	0.132	2	121.1990	0.017	2	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.4950	1.723	2	121.5408	0.566	8	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.6365	0.218	2	121.5408	0.566	8	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.3240	0.375	2	121.5408	0.566	8	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.7075	0.795	2	121.5408	0.566	8	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	120.4935	0.626	2	120.5075	0.154	4	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,6|C<3>,6|H<1>}	120.5215	0.264	2	120.5075	0.154	4	120.9122	2.157	30	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]LaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|La<13>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]LaH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.1840	0.000	1	118.1840	0.000	1	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	121.2320	0.000	1	121.2320	0.000	1	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]AlH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Al<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]AlH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	119.3575	0.243	2	119.3575	0.059	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Pd<4>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|C<3>,3|H<1>}	121.7860	0.000	1	121.7860	0.000	1	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){2|Li<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<3>,2|C<3>}	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	119.4415	0.712	2	119.4415	0.507	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]CoO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Co<5>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]CoO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	119.7100	0.000	1	119.7100	0.000	1	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]IrO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ir<5>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]IrO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	116.3420	0.417	2	116.3420	0.174	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Mo<7>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	119.3503	0.951	4	119.3503	0.904	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Mo<7>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	119.2862	0.336	4	119.2862	0.113	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	121.2320	0.000	1	120.5773	0.564	3	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|Ni<5>,1|C<4>,1|P<4>,2|C<3>,3|H<1>}	120.7420	0.000	1	120.5773	0.564	3	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<6>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	119.7580	0.000	1	120.5773	0.564	3	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	116.9985	0.924	4	117.9873	2.930	6	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|H<1>,1|P<4>,4|C<3>}	120.3880	0.000	1	117.9873	2.930	6	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|P<4>,2|H<1>,4|C<3>}	119.5420	0.000	1	117.9873	2.930	6	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiO)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	116.7398	0.423	4	116.7398	0.179	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]PdH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Pd<3>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]PdH)(C[6a]C[6a]2)(C[6]N[6]H){1|B<4>,1|H<1>,1|P<4>,4|C<3>}	116.9480	0.385	2	116.9480	0.148	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]PtO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Pt<5>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]PtO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	116.4470	0.301	2	116.4470	0.091	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){1|Ni<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	121.8925	0.452	2	121.8925	0.204	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){1|Pt<5>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	119.0097	0.648	4	119.7312	1.501	6	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){1|Pt<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	121.1740	0.047	2	119.7312	1.501	6	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]CC)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.4585	2.289	2	120.4585	5.239	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	120.6275	0.288	2	120.6268	0.068	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.6260	0.349	2	120.6268	0.068	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.8752	0.525	4	121.1071	0.324	12	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.9420	1.056	2	121.1071	0.324	12	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.5470	0.214	2	121.1071	0.324	12	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.2075	0.878	2	121.1071	0.324	12	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.1955	0.344	2	121.1071	0.324	12	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	121.3263	1.018	4	121.3263	1.037	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	121.0680	2.186	2	121.0680	4.780	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	121.9325	0.325	2	121.2430	0.520	7	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.8220	0.000	1	121.2430	0.520	7	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|P<4>,2|H<1>,3|C<3>}	120.9535	1.194	2	121.2430	0.520	7	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.0535	0.470	2	121.2430	0.520	7	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<4>,2|C<3>,6|H<1>}	121.5875	0.947	2	121.5875	0.896	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.1830	0.939	2	121.1830	0.882	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Li<3>,1|Li<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	121.1995	0.039	2	121.1995	0.002	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	120.3100	1.476	2	120.3100	2.180	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Pr<17>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.0590	1.368	4	121.0868	1.256	6	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Pr<17>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	121.1425	0.808	2	121.0868	1.256	6	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<3>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,6|H<1>}	121.2330	0.139	2	121.2330	0.019	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Ti<10>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	121.0233	1.004	16	121.0233	1.007	16	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	121.9135	1.671	2	121.9135	2.792	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,3|C<2>,5|C<3>}	120.9925	0.069	2	121.0403	0.017	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	121.0880	0.197	2	121.0403	0.017	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	119.8375	2.917	2	119.8375	8.508	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	121.7030	0.157	2	121.4885	0.437	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,5|C<3>}	121.2740	1.049	2	121.4885	0.437	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C){1|C<2>,2|H<1>,5|C<3>}	121.1795	0.563	4	121.1795	0.316	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]H){4|H<1>,5|C<3>}	120.7970	1.168	2	120.7970	1.365	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.0275	0.573	2	121.0275	0.329	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	121.0208	1.458	4	121.0208	2.125	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Si<4>,1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	121.0230	2.957	2	121.0230	8.745	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.7193	0.822	4	120.7193	0.676	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	121.4030	1.110	2	121.4030	1.232	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[6]TaO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Ta<13>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]TaO)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	120.8777	1.364	4	120.8777	1.861	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]N[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|Ti<9>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	120.5637	0.658	4	120.5637	0.433	4	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.2330	0.000	1	121.2330	0.000	1	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]LiNi)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[6]C[6]2){1|Li<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]LiNi)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	125.9210	0.000	1	125.9210	0.000	1	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[6]C[6]2){1|Ni<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ni<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	124.6720	0.000	1	124.3165	0.253	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(C[6]C[6]2){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ni<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9610	0.000	1	124.3165	0.253	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(C[6]C[6]2){1|Ni<4>,1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	121.3030	0.963	2	121.3030	0.928	2	120.5003	2.877	152	120.8525	3.056	369	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	5:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x3,4,3x5,15x6]-5:C[6]-3:C[6a]-3:	C[6a](C[6]C[3x3,4,3x5,15x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[3x3,4,3x5,15x6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<5>,2|C<3>,2|H<1>}	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<5>,5|B<6>,5|H<1>,6|C<3>}	121.1010	0.031	2	121.1010	0.001	2	121.1010	0.001	2	121.1010	0.001	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4x3,4,5x5,22x6]-6:C[6]-3:C[6a]-3:	C[6a](C[6]B[4x3,4,5x5,22x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]B[4x3,4,5x5,22x6]C[6])(C[6a]C[6a]H)2{2|C<5>,2|H<1>,3|B<6>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<6>,2|C<3>,2|H<1>}	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,5|B<6>,5|H<1>,6|C<3>}	120.9490	0.747	2	120.9490	0.558	2	120.9490	0.558	2	120.7493	0.389	22	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{2|C<6>,2|H<1>,3|B<6>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<6>,2|C<3>,2|H<1>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){5|B<6>,6|C<3>,6|H<1>}	120.8780	0.595	4	120.8780	0.354	4	120.8555	0.249	8	120.7493	0.389	22	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](C[6]B[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<6>,2|C<3>,2|H<1>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,4|B<6>,6|C<3>,6|H<1>}	120.8330	0.476	4	120.8330	0.226	4	120.8555	0.249	8	120.7493	0.389	22	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<6>,2|C<3>,2|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|B<6>,5|H<1>}	120.7382	0.789	4	120.7382	0.622	4	120.6452	0.506	12	120.7493	0.389	22	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|C<4>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<6>,2|C<3>,2|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,7|H<1>}	120.4740	0.274	2	120.5987	0.522	8	120.6452	0.506	12	120.7493	0.389	22	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<6>,2|C<3>,2|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,6|H<1>}	120.5580	1.605	2	120.5987	0.522	8	120.6452	0.506	12	120.7493	0.389	22	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:1:	6:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5x3,5x5,21x6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<6>,2|C<3>,2|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,5|B<6>,6|H<1>}	120.6815	0.560	4	120.5987	0.522	8	120.6452	0.506	12	120.7493	0.389	22	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:N[6]-2:	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6])	C[6a](C[6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	119.8140	0.000	1	119.8140	0.000	1	119.8140	0.000	1	119.8140	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	124.2730	0.000	1	124.2730	0.000	1	122.4974	1.345	9	122.4974	1.345	9	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.7890	0.000	1	123.0225	0.192	4	122.4974	1.345	9	122.4974	1.345	9	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	122.6870	0.000	1	123.0225	0.192	4	122.4974	1.345	9	122.4974	1.345	9	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.3070	0.496	2	123.0225	0.192	4	122.4974	1.345	9	122.4974	1.345	9	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ga<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){1|H<1>,3|C<3>,6|O<2>}	121.1440	0.447	3	121.1440	0.200	3	122.4974	1.345	9	122.4974	1.345	9	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	122.6820	0.000	1	122.6820	0.000	1	122.4974	1.345	9	122.4974	1.345	9	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,1|N<3>,2|C<3>,2|F<1>,2|O<2>}	124.5000	0.000	1	124.5383	0.002	3	123.9452	0.700	9	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,1|N<3>,2|C<3>,2|F<1>,2|O<2>}	124.5320	0.000	1	124.5383	0.002	3	123.9452	0.700	9	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|H<1>,1|N<3>,2|C<3>,2|F<1>,2|O<2>}	124.5830	0.000	1	124.5383	0.002	3	123.9452	0.700	9	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|O<2>,5|C<3>}	125.3000	0.000	1	125.3000	0.000	1	123.9452	0.700	9	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|H<1>,2|O<2>,5|C<3>}	123.4827	0.377	3	123.3184	0.185	5	123.9452	0.700	9	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	122.7160	0.000	1	123.3184	0.185	5	123.9452	0.700	9	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|H<1>,2|O<2>,5|C<3>}	123.4280	0.000	1	123.3184	0.185	5	123.9452	0.700	9	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SC)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SC){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|S<2>,5|C<3>}	121.1070	0.204	2	121.1070	0.041	2	121.1070	0.041	2	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|O<2>,2|H<1>,5|C<3>}	124.3130	0.000	1	124.3130	0.000	1	123.4545	1.474	2	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ORu)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(N[6]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ORu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	122.5960	0.000	1	122.5960	0.000	1	123.4545	1.474	2	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	122.9132	4.221	15	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,4|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|C<2>,1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<2>,2|H<1>,6|C<3>}	120.8535	1.039	4	120.8535	1.079	4	120.8535	1.079	4	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]O)2{1|H<1>,1|P<4>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H){1|Pd<4>,1|H<1>,2|C<3>,3|C<4>,3|O<2>}	119.5740	1.796	2	119.5740	3.226	2	119.5740	3.226	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	120.4880	0.342	3	120.4880	0.117	3	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){2|H<1>,2|N<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	121.0450	0.000	1	121.0450	0.000	1	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,2|N<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	118.3790	0.000	1	118.3790	0.000	1	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	120.9985	0.640	2	120.9985	0.410	2	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	121.2030	0.000	1	121.6915	0.477	2	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	122.1800	0.000	1	121.6915	0.477	2	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	122.4590	0.576	2	122.4590	0.331	2	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(OH){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	121.0590	0.000	1	121.0590	0.000	1	121.0204	1.302	12	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[6,6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	122.5910	0.000	1	122.5910	0.000	1	122.5910	0.000	1	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	122.6990	0.000	1	122.6990	0.000	1	120.5637	1.543	13	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	120.4562	0.654	4	120.3857	1.234	12	120.5637	1.543	13	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|O<2>,6|C<3>}	120.3505	1.323	8	120.3857	1.234	12	120.5637	1.543	13	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	121.4340	0.000	1	121.4340	0.000	1	121.4340	0.000	1	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	124.1320	0.000	1	124.5403	0.163	3	123.0738	1.624	9	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	124.7445	0.275	2	124.5403	0.163	3	123.0738	1.624	9	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	121.4220	0.000	1	121.4220	0.000	1	123.0738	1.624	9	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	122.7772	0.482	4	122.7772	0.232	4	123.0738	1.624	9	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OIr)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OIr){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	121.5120	0.000	1	121.5120	0.000	1	123.0738	1.624	9	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Li<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.6410	0.000	1	120.6410	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OPd)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OPd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.8610	0.000	1	124.1810	0.205	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OPd)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OPd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	124.5010	0.000	1	124.1810	0.205	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OAl)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OAl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	121.5140	0.264	4	121.5140	0.070	4	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OCo)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<5>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OCo){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	122.4905	0.309	2	122.4905	0.095	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OCr)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cr<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OCr){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	122.4185	0.264	2	122.4185	0.070	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OCu)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	123.6230	0.000	1	123.6230	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OIr)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OIr){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	123.5030	0.580	10	123.3209	0.491	14	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OIr)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OIr){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.8657	0.855	4	123.3209	0.491	14	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OMo)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<5>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OMo){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	120.8175	0.112	2	121.8920	1.559	4	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OMo)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mo<6>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OMo){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	122.9665	0.216	2	121.8920	1.559	4	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(ONi)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(ONi){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	121.1890	0.000	1	121.1890	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.9760	0.000	1	121.2502	0.067	6	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.4607	0.169	3	121.2502	0.067	6	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.1200	0.000	1	121.2502	0.067	6	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.0230	0.000	1	121.2502	0.067	6	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Co<5>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.9590	0.000	1	118.9590	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.9340	0.000	1	120.9340	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.2420	0.000	1	121.2420	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OCu)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OCu){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	124.3327	0.710	3	124.3327	0.504	3	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OFe)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.6180	0.000	1	123.6180	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OIr)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OIr){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	125.9936	0.563	5	125.2807	3.303	6	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OIr)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OIr){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	121.7160	0.000	1	125.2807	3.303	6	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ONi)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.6140	0.000	1	122.6140	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OPd)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OPd){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.8980	0.000	1	124.4500	0.401	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OPd)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OPd){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	124.0020	0.000	1	124.4500	0.401	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OPt)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OPt){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	127.5710	0.000	2	127.5710	0.000	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])2(OH)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])2(OH){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	119.3780	1.348	2	119.3780	1.816	2	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2{1|Cd<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	119.8040	1.007	4	119.8040	1.015	4	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	125.6590	0.000	1	125.6590	0.000	1	122.7576	4.243	62	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ONi)	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	123.5900	0.047	2	123.5900	0.002	2	121.5748	3.510	10	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OZn)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OZn){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	123.3320	1.051	2	123.3320	1.104	2	121.5748	3.510	10	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](N[6]C[6,6a]Ag)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2{1|Ag<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	120.4000	2.499	2	120.4000	6.245	2	121.5748	3.510	10	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]O)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	120.2760	0.381	4	120.2760	0.145	4	121.5748	3.510	10	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]O){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(OH){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	120.8020	0.000	1	120.8020	0.000	1	121.0113	0.272	6	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	121.0532	0.572	5	121.0532	0.327	5	121.0113	0.272	6	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(OZn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|Zn<4>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(OZn){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn){1|O<2>,2|H<1>,6|C<3>}	119.3160	0.445	2	119.3160	0.198	2	118.5180	5.654	4	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|O<2>,2|H<1>,6|C<3>}	120.3860	0.000	1	120.3860	0.000	1	118.5180	5.654	4	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]O){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	115.0540	0.000	1	115.0540	0.000	1	118.5180	5.654	4	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]Si)(OAl)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]O){1|Al<4>,1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]Si)(OAl){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	120.5505	1.032	2	120.5505	1.064	2	120.5505	1.064	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OCu)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O){1|Cu<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OCu){1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	123.2120	0.000	1	123.2120	0.000	1	120.8702	2.759	4	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OPt)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6])(C[6a]C[6a]O){1|Pt<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OPt){1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	120.0897	0.695	3	120.0897	0.482	3	120.8702	2.759	4	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]Cl)(C[6]C[6]2){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|Cl<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|Cl<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	117.0260	0.000	1	117.0260	0.000	1	119.0245	7.988	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[6])(OC){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	121.0230	0.000	1	121.0230	0.000	1	119.0245	7.988	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(C[6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]F)(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,1|F<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.2450	0.000	1	121.2450	0.000	1	121.2450	0.000	1	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|C<2>,2|H<1>,3|C<3>}	123.6330	0.000	1	123.6330	0.000	1	121.4580	5.484	3	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	120.3705	1.968	2	120.3705	3.873	2	121.4580	5.484	3	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<3>}	116.3680	0.000	1	116.3680	0.000	1	118.5780	9.768	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.7880	0.000	1	120.7880	0.000	1	118.5780	9.768	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.3163	1.466	3	121.3163	2.148	3	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.9975	0.998	2	121.9975	0.995	2	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OP)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OP){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	125.6160	0.000	1	125.6160	0.000	1	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	120.6070	0.000	1	119.7400	1.503	2	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	118.8730	0.000	1	119.7400	1.503	2	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.1735	0.986	2	119.1735	0.973	2	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	124.1490	0.294	2	123.8027	0.395	7	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	123.5650	0.987	2	123.8027	0.395	7	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	123.7303	0.685	3	123.8027	0.395	7	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|O<2>,2|H<1>,3|C<3>}	121.6390	0.000	1	121.6390	0.000	1	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	123.1660	0.000	1	123.1660	0.000	1	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]O)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|O<2>,5|C<3>}	121.2240	0.699	2	121.2240	0.488	2	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]O)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|O<2>,5|C<3>}	120.7870	2.513	2	120.7870	6.315	2	122.0362	3.907	23	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OCo)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|Co<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OCo){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	124.4670	0.000	1	124.4670	0.000	1	124.8565	0.303	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OZn)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){1|Zn<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OZn){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	125.2460	0.000	1	125.2460	0.000	1	124.8565	0.303	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	N[6]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	119.3870	0.023	2	119.3870	0.001	2	119.3870	0.001	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2){1|N<2>,2|N<3>,5|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	124.0145	2.041	2	124.0145	4.167	2	124.0145	4.167	2	121.7904	4.563	170	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]O){1|Ti<9>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	119.7665	0.459	2	119.7665	0.211	2	119.7665	0.211	2	119.7665	0.211	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	123.2520	0.000	1	123.2520	0.000	1	123.2520	0.000	1	123.2520	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.2990	0.000	1	120.2990	0.000	1	120.4527	0.018	3	120.4527	0.018	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){1|O<2>,2|H<1>,6|C<3>}	120.5295	0.018	2	120.5295	0.000	2	120.4527	0.018	3	120.4527	0.018	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	122.7285	1.636	2	122.7285	2.675	2	122.7285	2.675	2	120.2453	4.193	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC)	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Pd<4>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(NC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|C<3>,3|H<1>}	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	120.2453	4.193	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	120.2453	4.193	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:S-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(SPt)	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){1|Pt<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(SPt){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	118.2980	0.141	2	118.2980	0.020	2	118.9610	0.913	6	120.2453	4.193	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:2:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:S-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(SPt)	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){1|Pt<5>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(SPt){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	119.2925	1.037	4	119.2925	1.076	4	118.9610	0.913	6	120.2453	4.193	10	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:N[6]-2:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6](C[6a]C[6a]2)(N[6]N[6])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]N[6])2{1|H<1>,1|P<3>,2|C<4>,3|C<3>}	123.0420	0.000	1	123.0420	0.000	1	123.0420	0.000	1	123.0420	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6]C[6,6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|C<3>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	122.6910	0.000	1	122.6910	0.000	1	122.6910	0.000	1	123.2855	0.219	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	123.1320	0.000	1	123.1320	0.000	1	123.1320	0.000	1	123.2855	0.219	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	123.6595	0.028	2	123.6595	0.001	2	123.6595	0.001	2	123.2855	0.219	4	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	121.5200	0.000	1	121.5200	0.000	1	121.5200	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(BC[6a]2)	C[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]B)(C[6a]C[6a]H){1|Zr<11>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(BC[6a]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	120.6625	0.798	2	120.6625	0.637	2	120.6625	0.637	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	123.0530	0.000	1	123.0530	0.000	1	123.0530	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,6|C<3>}	123.9660	0.000	1	123.9660	0.000	1	123.9660	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	121.4100	0.000	1	121.4100	0.000	1	124.0080	2.127	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	123.1820	0.000	1	124.2245	1.655	12	124.0080	2.127	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	124.7420	1.924	4	124.2245	1.655	12	124.0080	2.127	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	124.0777	0.893	7	124.2245	1.655	12	124.0080	2.127	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CSiC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CSiC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){3|H<1>,4|C<3>}	123.6570	0.000	1	123.6570	0.000	1	123.6570	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(CIrC)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]F){1|Ir<8>,1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(CIrC){1|N<3>,2|C<3>,2|F<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	120.8150	0.000	1	120.8150	0.000	1	124.0389	3.873	14	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ir<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|H<1>,4|C<3>}	125.0475	0.725	4	125.0475	0.525	4	124.0389	3.873	14	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|H<1>,4|C<3>}	124.9923	0.340	3	124.9923	0.116	3	124.0389	3.873	14	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Ir<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|H<1>,4|C<3>}	125.9190	0.000	1	125.9190	0.000	1	124.0389	3.873	14	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|H<1>,4|C<3>}	125.3495	0.889	2	125.3495	0.790	2	124.0389	3.873	14	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,6|C<3>}	121.7110	0.626	2	121.7110	0.392	2	124.0389	3.873	14	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CRhC)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CRhC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5230	0.000	1	120.5230	0.000	1	124.0389	3.873	14	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	123.7530	0.000	1	123.7530	0.000	1	123.7530	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	123.0275	0.407	4	123.0275	0.166	4	123.0275	0.166	4	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pd<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	123.9720	1.515	4	123.9720	2.295	4	122.7942	8.081	6	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pt<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	123.3430	0.000	1	120.4385	16.872	2	122.7942	8.081	6	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Pt<6>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	117.5340	0.000	1	120.4385	16.872	2	122.7942	8.081	6	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	124.1270	0.000	1	124.1270	0.000	1	123.0685	2.241	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6,6a]C[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	122.0100	0.000	1	122.0100	0.000	1	123.0685	2.241	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	124.8065	0.617	2	124.8065	0.381	2	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	123.3450	0.000	1	123.3450	0.000	1	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]Fe)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]Fe){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	123.1580	0.000	1	123.1580	0.000	1	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]Fe)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]Fe){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	125.1532	0.774	9	125.1532	0.599	9	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NPdH)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NPdH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	123.7367	0.598	3	123.7367	0.358	3	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRhS)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRhS){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	123.6400	0.000	1	123.5293	0.192	3	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRhS)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRhS){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	123.4740	0.604	2	123.5293	0.192	3	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRuO)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRuO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	124.5340	0.000	1	124.5340	0.000	1	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRuS)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ru<9>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NRuS){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	122.2220	0.000	1	122.2220	0.000	1	124.3357	1.132	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OLiC)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Li<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OLiC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	123.2690	0.000	1	122.0080	3.180	2	122.5171	2.595	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OLiC)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Li<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OLiC){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	120.7470	0.000	1	122.0080	3.180	2	122.5171	2.595	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl2)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OAl2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<3>,2|H<1>,3|C<3>}	121.0490	0.000	1	121.0490	0.000	1	122.5171	2.595	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ORh2)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(ORh2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|O<3>,3|C<3>,3|H<1>}	122.4450	0.000	1	122.4450	0.000	1	122.5171	2.595	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])2(ONi2)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(ONi2){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	124.3620	0.590	2	124.3620	0.348	2	122.5171	2.595	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])2(OZn2)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])2(OZn2){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	122.2343	1.828	4	122.2343	3.340	4	122.5171	2.595	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OZn2)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OZn2){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	123.9958	1.896	4	123.9958	3.595	4	123.9958	3.595	4	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|P<3>,3|H<1>,6|C<3>}	122.5830	0.648	2	122.5830	0.420	2	122.5830	0.420	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SFeC)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Fe<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SFeC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|S<3>,2|H<1>,3|C<3>}	126.5700	0.941	3	126.5700	0.886	3	126.3337	0.814	4	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SRuC)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Ru<9>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SRuC){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	125.6250	0.000	1	125.6250	0.000	1	126.3337	0.814	4	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){2|H<1>,7|C<3>}	121.0840	0.000	1	121.0840	0.000	1	121.0840	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2)(C[6a]C[6a]N){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	119.9620	0.000	1	119.9620	0.000	1	119.9620	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]N){1|Cu<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu){1|N<3>,2|H<1>,6|C<3>}	121.2685	0.132	2	121.2685	0.017	2	121.2685	0.017	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]Ir){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9245	0.078	2	123.9245	0.006	2	123.9245	0.006	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<7>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,8|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	119.1895	0.999	4	119.1895	0.998	4	119.5155	0.863	6	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Zn<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6]){1|N<3>,2|H<1>,8|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){3|H<1>,4|C<3>}	120.1675	0.211	2	120.1675	0.045	2	119.5155	0.863	6	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	119.9760	0.023	2	120.6416	0.429	9	120.6416	0.429	9	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.8317	0.619	7	120.6416	0.429	9	120.6416	0.429	9	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	121.3445	0.564	2	121.3445	0.318	2	121.3445	0.318	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])2	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[6])2{1|H<1>,2|N<3>,7|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	118.6665	0.134	2	118.6665	0.018	2	118.6665	0.018	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<3>}	125.2400	0.000	1	125.2400	0.000	1	125.2400	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|H<1>,4|C<3>}	124.1260	0.000	1	122.7244	2.095	5	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,4|C<3>}	121.5210	0.000	1	122.7244	2.095	5	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,4|C<3>}	124.4240	0.000	1	122.7244	2.095	5	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,2|H<1>,4|C<3>}	121.4030	0.000	1	122.7244	2.095	5	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,4|C<3>}	122.1480	0.000	1	122.7244	2.095	5	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	123.3370	0.000	1	123.3370	0.000	1	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	123.8510	0.079	2	123.7930	0.013	3	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|S<4>,2|H<1>,3|C<3>}	123.6770	0.000	1	123.7930	0.013	3	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(COO){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	125.2810	0.281	2	125.2810	0.079	2	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]C)(COO){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.6555	1.068	2	120.6555	1.142	2	123.0932	2.774	13	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	120.5070	0.383	2	120.5070	0.147	2	122.3923	1.748	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	121.7140	1.218	2	121.7140	1.483	2	122.3923	1.748	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C[6])2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C[6])2(C[6]C[6]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[6])2(C[6]C[6]2){2|H<1>,9|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	123.2468	0.582	6	123.2468	0.338	6	122.3923	1.748	10	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	124.7585	0.450	2	124.7585	0.203	2	124.7585	0.203	2	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.3630	0.000	1	121.9232	0.223	5	121.9232	0.223	5	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.0770	0.559	2	121.9232	0.223	5	121.9232	0.223	5	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.0495	0.431	2	121.9232	0.223	5	121.9232	0.223	5	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.5940	0.000	1	120.5940	0.000	1	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]Co)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]Co){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,4|H<1>}	121.9380	0.000	1	121.9380	0.000	1	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	125.1590	0.000	1	125.1590	0.000	1	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	124.5380	0.160	2	124.3790	0.754	7	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|N<3>,3|C<3>,3|H<1>}	123.8117	0.775	3	124.3790	0.754	7	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	125.8850	0.000	1	124.3790	0.754	7	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|N<3>,3|C<3>,3|H<1>}	124.2570	0.000	1	124.3790	0.754	7	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NPdC)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<2>,1|C<5>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NPdC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	122.2670	0.000	1	122.2670	0.000	1	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]N)2(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{2|C<4>,2|N<3>,3|C<3>}	123.6208	0.781	4	123.6130	0.270	10	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6a](C[6a]C[6a]N)2(C[6]C[6]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{2|H<1>,2|N<3>,3|C<3>}	123.6078	0.346	6	123.6130	0.270	10	123.6543	1.357	21	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6]C[6,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.6250	0.000	1	125.6250	0.000	1	125.6250	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	123.0540	3.852	168	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH){1|H<1>,2|C<4>,5|C<3>}	120.6290	0.899	2	120.6290	0.809	2	120.6290	0.809	2	121.5957	3.208	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]HH){1|H<1>,2|C<4>,5|C<3>}	123.5290	0.000	1	123.5290	0.000	1	123.5290	0.000	1	121.5957	3.208	3	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(CC[5]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[5,6]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(CC[5]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,5|H<1>,6|C<3>}	96.2726	0.000	1	96.2726	0.000	1	96.2726	0.000	1	119.3591	58.478	12	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,7|C<3>}	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	119.3591	58.478	12	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,6|C<3>}	122.5715	2.055	4	122.5715	4.224	4	122.5715	4.224	4	119.3591	58.478	12	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]Al)	C[6](C[6]C[6]AlH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2){1|Al<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]Al){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]AlH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	121.3890	1.054	2	121.3890	1.110	2	121.3890	1.110	2	119.3591	58.478	12	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:O-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OLiC)	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2){2|Li<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OLiC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	123.4235	0.162	2	123.4235	0.026	2	123.4235	0.026	2	119.3591	58.478	12	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:S-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(SNi2)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){1|Ni<5>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(SNi2){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	117.2795	0.617	2	117.2795	0.381	2	117.2795	0.381	2	119.3591	58.478	12	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-2:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	120.1190	1.365	12	120.1190	1.864	12	120.1190	1.864	12	120.6426	3.349	14	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:N[6]-2:N[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NErHH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]Er)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2){1|Er<14>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NErHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]Er){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	123.7840	0.000	2	123.7840	0.000	2	123.7840	0.000	2	120.6426	3.349	14	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:S[6]-2:	C[6a](C[6]C[5,6]S[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a])	C[6a](C[6]C[5,6]S[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|S<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a]){1|C<4>,1|H<1>,7|C<3>}	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6])	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:Se[6]-2:	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6])	C[6a](C[6]Se[6]C[6])(C[6a]C[6a]C)2{3|Se<2>,1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|Se<2>,2|C<3>,2|C<4>}	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6]){2|C<4>,3|C<3>}	119.5610	1.549	2	119.5610	2.398	2	119.5610	2.398	2	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-2:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]CH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]CH){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|Mn<8>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	120.0280	0.000	1	120.0280	0.000	1	122.0738	1.984	4	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	122.5720	0.413	2	122.7557	0.186	3	122.0738	1.984	4	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:O[6]-2:	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6a](C[6]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	123.1230	0.000	1	122.7557	0.186	3	122.0738	1.984	4	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	119.5282	0.834	4	119.5282	0.696	4	119.7364	1.056	20	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	120.1655	1.035	4	119.7885	1.184	16	119.7364	1.056	20	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-2:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	119.6628	1.120	12	119.7885	1.184	16	119.7364	1.056	20	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6](C[6a]C[6a]2)(N[6]N[6]Pd)(N[6]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2){1|Pd<4>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]Pd)(N[6]N[6]){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	124.7430	0.000	1	124.7430	0.000	1	124.7430	0.000	1	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]N[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SNOO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SNOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]){1|S<4>,3|H<1>,4|C<3>}	124.3962	0.810	4	124.3962	0.657	4	124.3962	0.657	4	120.8874	4.131	34	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,4|C<4>}	123.1035	2.095	2	123.1035	4.390	2	123.1035	4.390	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	120.9870	0.000	1	120.9870	0.000	1	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	120.6890	0.000	1	120.7103	0.000	3	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	120.7210	0.000	2	120.7103	0.000	3	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	119.5155	0.763	2	119.5155	0.582	2	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.8561	0.470	8	119.9144	0.407	12	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|C<4>,2|H<1>,6|C<3>}	120.0085	0.701	2	119.9144	0.407	12	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,2|C<4>,2|H<1>,6|C<3>}	120.0535	1.535	2	119.9144	0.407	12	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	119.6768	0.963	78	119.6631	0.862	104	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	119.6111	0.899	20	119.6631	0.862	104	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|C<4>,2|H<1>,6|C<3>}	119.6577	0.629	6	119.6631	0.862	104	119.7220	0.820	122	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]C[6,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	119.6675	0.781	2	119.6675	0.611	2	119.6675	0.611	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,2|O<2>,6|C<3>}	123.5430	0.000	1	123.5430	0.000	1	120.1974	1.199	15	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	119.8044	0.501	12	119.9584	0.369	14	120.1974	1.199	15	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	120.8825	0.220	2	119.9584	0.369	14	120.1974	1.199	15	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	117.8730	0.000	1	117.8730	0.000	1	117.8730	0.000	1	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|Rh<6>,1|H<1>,2|C<4>,2|N<3>,5|C<3>}	118.7275	2.935	2	118.7275	8.615	2	118.7275	8.615	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a](C[6]C[6,6a]N[5a,6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5a,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,2|C<4>,5|C<3>}	119.2280	1.745	2	119.2280	3.046	2	119.2280	3.046	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|C<4>,3|C<3>,3|H<1>}	118.9620	0.000	1	118.9620	0.000	1	119.2380	0.106	9	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.3480	0.252	2	119.3480	0.063	2	119.2380	0.106	9	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|B<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|H<1>,2|C<4>,4|C<3>}	119.2473	0.370	6	119.2473	0.137	6	119.2380	0.106	9	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Au)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	126.2535	2.754	2	126.2535	7.586	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC3)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	126.6780	0.000	1	126.6780	0.000	1	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.6220	0.000	1	121.5815	0.003	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<9>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.5410	0.000	1	121.5815	0.003	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<9>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HN){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	124.2403	1.029	3	124.2403	1.058	3	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Au<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.7810	0.000	1	121.7810	0.000	1	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	123.4175	0.213	2	123.4175	0.045	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.1338	1.220	4	120.1338	1.488	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CRhCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CRhCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.4485	0.111	2	121.4485	0.012	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6160	1.102	4	119.6160	1.215	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cr<5>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.6420	2.510	2	119.5927	2.954	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cr<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.5435	1.597	2	119.5927	2.954	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6515	0.269	4	119.5900	0.379	8	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.5285	0.895	4	119.5900	0.379	8	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Fe<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6478	1.120	4	119.6478	1.254	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6575	1.090	4	119.7260	0.725	6	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ni<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.8630	0.062	2	119.7260	0.725	6	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Ti)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ti<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ti)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.3648	1.870	4	119.3648	3.496	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.4788	1.255	4	119.4788	1.576	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ag)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ag<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.5004	0.446	8	119.5004	0.199	8	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Al<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6734	0.835	12	119.6734	0.697	12	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.5120	0.049	2	119.6146	0.690	14	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.6317	0.902	12	119.6146	0.690	14	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cr<5>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.7610	0.470	2	119.3866	2.462	10	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cr<6>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.4087	1.915	6	119.3866	2.462	10	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cr<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.9460	1.710	2	119.3866	2.462	10	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.7707	1.226	50	119.7641	1.423	54	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6813	0.750	4	119.7641	1.423	54	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Fe<5>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.7255	0.342	2	119.7255	0.117	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ga<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.2353	0.363	4	119.2353	0.132	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ir<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	119.4975	1.249	2	119.4975	1.561	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Mn<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.4890	1.073	4	119.4890	1.151	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.2225	1.917	2	119.5772	2.108	14	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	119.5002	1.255	4	119.5772	2.108	14	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.7044	1.630	8	119.5772	2.108	14	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.5315	1.091	2	119.5315	1.190	2	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Rh<8>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.3890	1.294	2	119.4571	2.300	12	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Rh<8>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.1485	2.193	2	119.4571	2.300	12	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Rh<8>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.8860	0.414	2	119.4571	2.300	12	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Rh<9>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.4397	1.845	6	119.4571	2.300	12	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ru<6>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.5300	0.109	4	119.5300	0.012	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ti)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ti<7>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ti)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.5835	1.633	4	119.5835	2.667	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Zn<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.2993	1.202	4	119.2993	1.445	4	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	126.9687	0.797	3	127.6197	0.545	8	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	127.9265	0.684	2	127.6197	0.545	8	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	128.0240	0.082	2	127.6197	0.545	8	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	128.1510	0.000	1	127.6197	0.545	8	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	129.2585	0.411	8	128.6828	1.633	10	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Ir<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	126.3800	0.509	2	128.6828	1.633	10	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Pt)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Pt<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	123.6000	0.000	1	123.6000	0.000	1	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ru)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	124.3270	0.000	1	124.3270	0.000	1	120.5889	7.620	221	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-3:C[6]-3:	C[6a](C[6]C[6]P[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C)	C[6a](C[6]C[6]P[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|P<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	121.1488	0.531	4	121.1488	0.282	4	121.1488	0.282	4	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHS)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHS){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	123.1280	0.240	2	123.1280	0.058	2	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN[5]HH)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN[5]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	121.3065	0.787	2	121.3065	0.619	2	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<3>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	118.8105	0.805	2	118.8105	0.649	2	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.5114	1.227	12	119.5114	1.506	12	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|B<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	119.5727	0.341	4	119.5727	0.116	4	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[5,6]Co)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Co<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Co)(C[6a]C[6a]2)(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	119.9291	1.551	8	119.9291	2.405	8	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[5,6]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<2>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	119.5550	0.728	4	119.5550	0.529	4	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[5,6]Fe)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Fe<4>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Fe)(C[6a]C[6a]2)(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	119.2690	2.314	4	119.2690	5.353	4	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[5,6]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Pt<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6671	1.098	8	119.6671	1.205	8	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Co<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.6725	0.596	4	119.6725	0.356	4	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<4>,1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.4315	1.268	2	119.4315	1.607	2	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.8428	1.281	6	119.7695	1.239	22	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.7420	1.089	16	119.7695	1.239	22	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]C)2{1|Ni<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	119.5616	0.945	16	119.5616	0.894	16	119.7384	1.525	90	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NAuHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au)	C[6a](C[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Au<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NAuHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	120.6990	0.000	1	120.6990	0.000	1	120.6990	0.000	1	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Cu)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cu<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Cu){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	125.5550	1.534	4	125.5550	2.353	4	125.5494	1.765	5	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ni<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Ni){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	125.5270	0.000	1	125.5270	0.000	1	125.5494	1.765	5	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SO3){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<4>,3|H<1>,6|C<3>}	124.5300	0.082	2	124.5300	0.007	2	124.5300	0.007	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SPdCO)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SPdCO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	123.3550	0.000	1	123.3550	0.000	1	125.6435	10.474	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SCOO)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6a](C[6]C[6]N[6])(C[6a]C[6a]Ir)(C[6a]C[6a]S){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SCOO){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	127.9320	0.000	1	127.9320	0.000	1	125.6435	10.474	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SiC3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6]C[5a,6]2)(C[6a]C[6a]Si)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SiC3){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Si<4>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	122.2375	0.479	2	122.2375	0.229	2	122.2375	0.229	2	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(CHHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]2)(CHHN){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,7|C<3>}	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P){1|Pd<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|C<4>,1|H<1>,1|N<2>,1|P<4>,5|C<3>}	119.1857	0.394	3	120.0867	1.199	6	120.0867	1.199	6	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]P){1|Pd<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|P<4>,2|H<1>,6|C<3>}	120.9877	0.637	3	120.0867	1.199	6	120.0867	1.199	6	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	119.3805	0.459	2	119.0407	0.246	10	119.0407	0.246	10	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	119.2810	0.000	1	119.0407	0.246	10	119.0407	0.246	10	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6a](C[6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.9093	0.515	7	119.0407	0.246	10	119.0407	0.246	10	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]H)(CH3){1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	122.6488	1.530	6	122.6488	2.342	6	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.2330	0.000	1	123.0468	0.760	5	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	123.0002	0.999	4	123.0468	0.760	5	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.7520	1.030	2	121.7520	1.060	2	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]C)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|C<3>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(CH3){1|B<3>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]C)2{1|B<4>,2|C<3>,2|C<4>}	119.7735	0.921	2	119.7735	0.849	2	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]Fe)(C[6]C[6]C)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Fe<9>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Fe)(C[6]C[6]C){1|H<1>,3|C<3>,3|C<4>}	119.8595	0.175	2	119.8595	0.031	2	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.5165	0.887	2	119.5165	0.788	2	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,2|C<4>,3|C<3>}	121.1630	0.433	4	121.1630	0.187	4	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.7075	0.019	2	119.7075	0.000	2	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	120.2660	1.619	2	120.2660	2.622	2	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.7742	0.608	12	119.9013	0.326	16	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.2825	0.132	4	119.9013	0.326	16	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){2|C<4>,5|C<3>}	119.2542	0.718	4	119.7453	0.975	20	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|H<1>,2|C<4>,3|C<3>}	119.7852	0.967	12	119.7453	0.975	20	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	120.1165	1.312	4	119.7453	0.975	20	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	120.1474	1.844	5	120.1474	3.399	5	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.3967	0.442	4	119.8037	1.926	86	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.8194	1.445	76	119.8037	1.926	86	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	119.8760	1.080	6	119.8037	1.926	86	120.0955	2.130	154	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PPdCC)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|C<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PPdCC){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<4>,2|H<1>,3|C<3>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SO3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[6]C[6]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SO3){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	126.2980	0.000	1	126.2980	0.000	1	126.2980	0.000	1	120.2202	4.173	656	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P[6]-4:N[6]-2:	C[6a](C[6]N[6]P[6])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(P[6]O[6]CC)(N[6]O[6])	C[6a](C[6]N[6]P[6])(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|P<4>,2|C<4>}	C[6](C[6a]C[6a]2)(P[6]O[6]CC)(N[6]O[6]){1|B<4>,2|C<3>,2|C<4>}	120.0890	3.039	2	120.0890	9.236	2	120.0890	9.236	2	120.0890	9.236	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5,6]-3:C[6]-4:C[6a]-3:	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PMoCC)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]MoH)(C[6a]C[6a]2)	C[6a](C[6]C[5,6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<7>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PMoCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]MoH)(C[6a]C[6a]2){1|Si<4>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	120.5485	0.586	2	120.5485	0.344	2	120.5485	0.344	2	120.8589	0.277	8	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]C){2|C<3>,2|C<4>,3|H<1>}	121.7930	0.000	1	121.7930	0.000	1	120.9623	0.268	6	120.8589	0.277	8	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	121.2700	0.000	1	121.2700	0.000	1	120.9623	0.268	6	120.8589	0.277	8	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|C<4>,5|C<3>}	120.6778	0.277	4	120.6778	0.077	4	120.9623	0.268	6	120.8589	0.277	8	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(CLaSS)	C[6](C[6]C[6]LaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2){1|La<13>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(CLaSS){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]LaH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.5860	0.000	1	122.5860	0.000	1	120.5046	2.952	15	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Ga<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	120.3358	2.465	4	120.3358	6.074	4	120.5046	2.952	15	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Th<12>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	120.4543	1.603	8	120.3640	2.050	10	120.5046	2.952	15	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Th<12>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	120.0030	0.376	2	120.3640	2.050	10	120.5046	2.952	15	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(PNiCC)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<6>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(PNiCC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	119.2840	0.000	1	119.2840	0.000	1	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PCoCC)	C[6](C[6]C[6]CoO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Co<5>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PCoCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CoO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	120.5580	0.000	1	120.5580	0.000	1	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PIrCC)	C[6](C[6]C[6]IrO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ir<5>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PIrCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]IrO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	125.6850	0.677	2	125.6850	0.459	2	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PMoCC)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Mo<7>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PMoCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	121.1662	0.792	4	121.1662	0.628	4	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PMoCC)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Mo<7>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PMoCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	120.4963	0.305	4	120.4963	0.093	4	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	119.3975	0.218	2	119.4597	0.035	3	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|Ni<5>,1|C<4>,1|P<4>,2|C<3>,3|H<1>}	119.5840	0.000	1	119.4597	0.035	3	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	123.1428	0.400	4	122.1887	2.335	6	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|H<1>,1|P<4>,4|C<3>}	119.9120	0.000	1	122.1887	2.335	6	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|P<4>,2|H<1>,4|C<3>}	120.6490	0.000	1	122.1887	2.335	6	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC)	C[6](C[6]C[6]NiO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Ni<5>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PNiCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiO)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	125.0265	0.407	4	125.0265	0.165	4	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PPdCC)	C[6](C[6]C[6]PdH)(C[6a]C[6a]2)(C[6]N[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Pd<3>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PPdCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6a]C[6a]2)(C[6]N[6]H){1|B<4>,1|H<1>,1|P<4>,4|C<3>}	123.7560	0.494	2	123.7560	0.244	2	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:P-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PPtCC)	C[6](C[6]C[6]PtO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2){1|Pt<5>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PPtCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]PtO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	125.5180	0.465	2	125.5180	0.216	2	122.3458	5.265	29	121.7181	5.169	44	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	3:4:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:P[5]-4:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(C[6]C[6]2)	C[6a](C[6a]C[6a]C[6])(P[5]N[5]2Ni)(C[6a]C[6a]H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(C[6]C[6]2){1|Ni<4>,1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(P[5]N[5]2Ni)(C[6a]C[6a]H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	119.2505	1.709	2	119.2505	2.921	2	119.2505	2.921	2	119.2505	2.921	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	0:SP2_SP2_SP2	C[6a]	C[6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6])	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6]C[6a])(C[6]C[6,6a]N[6]){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	119.9245	0.066	2	119.9245	0.004	2	119.9245	0.004	2	119.9245	0.004	2	121.3886	5.023	11372	121.8910	5.655	26422
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[3x6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|C<4>,6|C<3>}	120.7690	0.989	4	120.7690	0.979	4	120.7690	0.979	4	120.7690	0.979	4	120.6096	0.861	5	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[3x6]	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){4|C<4>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){3|C<4>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	120.6096	0.861	5	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6,6a]-3:C[6,6a,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6]-4:C[6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6]C[6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6]C[6]){1|H<1>,1|O<2>,4|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]C[5]C[6]){2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	120.1517	0.337	3	120.1517	0.113	3	120.1517	0.113	3	120.1517	0.113	3	118.8386	3.290	5	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[6,6]	3:3:3:	3:4:3:	3:4:1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	116.8420	0.000	1	116.8420	0.000	1	116.8690	0.001	2	116.8690	0.001	2	118.8386	3.290	5	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	C[6,6]	3:3:3:	3:4:3:	3:4:1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O){1|C<4>,3|C<3>,4|H<1>}	116.8960	0.000	1	116.8960	0.000	1	116.8690	0.001	2	116.8690	0.001	2	118.8386	3.290	5	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	C[3x6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6])	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[5,6,6]){3|C<4>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6]){4|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:C[6,6a,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[5,6]-4:C[6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6]C[6])	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6]C[6]){1|H<1>,1|O<2>,4|C<4>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	119.2007	0.526	3	119.2007	0.276	3	119.2007	0.276	3	119.2007	0.276	3	119.2007	0.276	3	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[3x6]	3:3:3:	3:4:3:	3:3:3:	C[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|C<4>,6|C<3>}	120.5083	0.879	4	120.5083	0.773	4	120.6054	0.402	7	120.5073	0.336	11	120.5073	0.336	11	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[3x6]	3:3:3:	3:4:3:	3:3:3:	C[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6a]2)3	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)3{3|C<4>,6|C<3>}	120.7350	0.042	3	120.7350	0.002	3	120.6054	0.402	7	120.5073	0.336	11	120.5073	0.336	11	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[3x6]	3:3:3:	3:4:3:	3:3:3:	C[6,6,6a]-3:C[3x6]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){1|B<3>,2|C<4>,6|C<3>}	120.3355	0.504	4	120.3355	0.254	4	120.3355	0.254	4	120.5073	0.336	11	120.5073	0.336	11	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:O[6]-2:C[6a]-3:	C[6,6,6a]-3:O[6]-2:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6]){1|Ga<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(O[6]Ga[5,5,6])(C[6a]C[6a]H){2|C<3>,3|O<2>,4|N<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H){2|O<2>,3|C<3>,4|N<3>}	123.7160	0.000	1	123.7160	0.000	1	123.7160	0.000	1	123.7160	0.000	1	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:O[6]-2:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6]){1|Ga<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H){2|O<2>,3|C<3>,4|N<3>}	118.5340	0.000	1	118.5340	0.000	1	121.1182	19.356	5	121.1182	19.356	5	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:O[6]-2:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6]){1|Ga<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H){1|O<3>,2|N<3>,3|C<3>,3|O<2>}	117.6140	0.014	2	117.6140	0.000	2	121.1182	19.356	5	121.1182	19.356	5	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a]-3:O[6]-2:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6])	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]O[6]){1|Ga<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]Ga[5,6]){1|O<3>,2|C<3>,2|N<3>,4|O<2>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H){1|O<3>,2|N<3>,3|C<3>,3|O<2>}	125.9145	0.421	2	125.9145	0.177	2	121.1182	19.356	5	121.1182	19.356	5	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:N[6]-3:N[6a]-2:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a]){2|N<3>,5|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<2>,2|C<4>,2|N<3>}	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6])	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2{1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.8245	0.248	8	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6])	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2{1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	119.8245	0.248	8	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.3270	0.252	2	119.9390	0.264	6	119.9390	0.264	6	119.8245	0.248	8	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	120.2450	0.209	4	119.9390	0.264	6	119.9390	0.264	6	119.8245	0.248	8	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[6,6,6a]-3:C[6]-3:N[6]-3:	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]O)(N[6]C[6]Pt)	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]){1|Pt<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]O)(N[6]C[6]Pt){1|H<1>,5|C<3>}	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	119.6481	0.624	7	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6,6a]N[6])2(C[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6,6a]N[6])(N[6]C[6]Ru)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	C[6,6,6a](C[6,6a]C[6,6a]N[6])2(C[6,6]C[6]2){2|Ru<9>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6,6a]N[6])(N[6]C[6]Ru){1|H<1>,1|N<3>,5|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	119.8785	0.056	2	119.8785	0.003	2	119.8785	0.003	2	119.6481	0.624	7	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6]-3:N[6]-3:	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]O)(N[6]C[6]Pt)	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]){1|Pt<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]O)(N[6]C[6]Pt){1|H<1>,5|C<3>}	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	119.6481	0.624	7	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]N[6a]N[6])(C[6,6]C[6]2){1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<2>,2|C<4>,2|N<3>}	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	119.6481	0.624	7	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|N<3>,2|O<2>,6|C<3>}	118.5640	0.000	1	118.5640	0.000	1	119.6010	2.151	2	119.6481	0.624	7	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]C[6,6a]2){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|N<3>,2|O<2>,6|C<3>}	120.6380	0.000	1	120.6380	0.000	1	119.6010	2.151	2	119.6481	0.624	7	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:P[6]-4:C[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6]){1|N<3>,2|C<3>,2|S<1>,2|S<2>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,2|H<1>,2|P<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6]){1|H<1>,1|P<4>,3|C<3>}	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	115.5760	0.000	1	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.5353	0.202	4	119.5353	0.041	4	119.3255	0.249	6	119.3255	0.249	6	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.9060	0.772	2	118.9060	0.596	2	119.3255	0.249	6	119.3255	0.249	6	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:P[6]-4:	C[6,6,6a]-3:P[6]-4:C[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(P[6]S[6]NS)	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6]){1|N<3>,2|C<3>,2|S<1>,2|S<2>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(P[6]S[6]NS){1|C<2>,1|H<1>,1|P<4>,2|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6]){1|H<1>,1|P<4>,3|C<3>}	127.5230	0.000	1	127.5230	0.000	1	127.5230	0.000	1	127.5230	0.000	1	120.2399	6.545	30	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(H){1|B<3>,2|H<1>,4|C<3>}	120.2078	0.772	4	120.2078	0.595	4	120.2078	0.595	4	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])2(O)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(O){1|B<3>,2|H<1>,4|C<3>}	120.4405	0.111	2	120.4405	0.012	2	120.4405	0.012	2	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2{1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	119.8280	0.000	1	119.8280	0.000	1	119.8280	0.000	1	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	120.9890	0.134	2	121.1223	0.089	4	121.1223	0.089	4	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|O<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	121.2555	0.421	2	121.1223	0.089	4	121.1223	0.089	4	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9515	0.385	2	117.9515	0.149	2	117.9515	0.149	2	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5]O[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6,6a](C[6,6]C[6,6a]O[6])(C[6,6a]C[6a]C[6])2{1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5]O[6])(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	118.1690	0.000	1	118.1690	0.000	1	118.1690	0.000	1	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2390	0.000	1	118.2425	0.000	2	118.4208	0.891	9	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2460	0.000	1	118.2425	0.000	2	118.4208	0.891	9	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.5912	1.136	6	118.4717	1.175	7	118.4208	0.891	9	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.7550	0.000	1	118.4717	1.175	7	118.4208	0.891	9	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]){1|Pt<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	117.4270	0.000	1	117.4270	0.000	1	119.3075	7.073	2	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,2|H<1>,2|P<4>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6,6]C[6]P[6]){1|N<3>,2|C<3>,2|S<1>,2|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	121.1880	0.000	1	121.1880	0.000	1	119.3075	7.073	2	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	118.5170	0.055	2	118.0268	0.194	6	118.0268	0.194	6	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	117.7818	0.287	4	118.0268	0.194	6	118.0268	0.194	6	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]2){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.8090	0.000	1	118.8090	0.000	1	118.7043	0.636	4	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(N[6,6]C[6]O[6]){1|B<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2260	0.000	1	118.2260	0.000	1	118.7043	0.636	4	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.9970	0.000	1	117.9970	0.000	1	118.7043	0.636	4	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]Se[6])(C[6,6a]C[6a]C[6])(N[6,6]C[5,6]C[6]){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.7850	0.000	1	119.7850	0.000	1	118.7043	0.636	4	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|Ga<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<2>,2|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0495	0.308	2	119.0495	0.095	2	119.0495	0.095	2	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S)	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S)	C[6,6a](C[6,6,6a]N[6,6a]N[6,6])(C[6a]N[6a]O)(C[6]N[6]S){2|C<3>,4|C<4>}	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,2|N<3>,2|O<1>,2|S<1>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S){2|O<1>,3|N<3>}	121.5380	0.000	1	121.5380	0.000	1	121.5380	0.000	1	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	N[5,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.0790	0.000	1	118.0790	0.000	1	118.0790	0.000	1	119.1076	1.764	39	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	N[5a,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	119.6360	0.997	2	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	119.6360	0.997	2	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	118.6985	0.047	2	118.6985	0.002	2	118.6985	0.002	2	118.7797	2.522	6	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[3x6]C[6,6]2Ru)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<11>,2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[3x6]C[6,6]2Ru){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	119.0545	0.192	2	119.0545	0.037	2	119.0545	0.037	2	118.7797	2.522	6	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	116.1030	0.000	1	116.1030	0.000	1	116.1030	0.000	1	118.7797	2.522	6	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,8|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	121.0690	0.000	1	121.0690	0.000	1	121.0690	0.000	1	118.7797	2.522	6	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	119.0810	0.000	1	119.0810	0.000	1	119.0810	0.000	1	119.0810	0.000	1	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,2|C<3>,2|C<4>}	119.3375	1.619	2	119.3375	2.620	2	119.3375	2.620	2	119.3375	2.620	2	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2{2|C<3>,2|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1440	0.096	2	122.1440	0.009	2	121.4213	0.700	4	121.4213	0.700	4	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2{2|C<4>,2|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6985	0.009	2	120.6985	0.000	2	121.4213	0.700	4	121.4213	0.700	4	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]N)(H){2|C<3>,2|C<4>,2|H<1>}	118.2830	0.000	1	118.2830	0.000	1	118.2830	0.000	1	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]Br){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|Br<1>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br){1|C<4>,2|H<1>,3|C<3>}	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.6630	0.245	2	119.6630	0.060	2	119.6630	0.060	2	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,3|C<3>,3|C<4>}	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.3100	0.000	1	120.3100	0.000	1	120.3347	0.057	4	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|Br<1>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.5490	0.000	1	120.3430	0.085	3	120.3347	0.057	4	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[4,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6,6a](C[4,6,6]C[4,6]C[4]C[6])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.2400	0.325	2	120.3430	0.085	3	120.3347	0.057	4	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6,6a](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.4190	0.000	1	118.3500	0.010	2	118.4228	0.060	4	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.2810	0.000	1	118.3500	0.010	2	118.4228	0.060	4	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.4955	0.388	2	118.4955	0.151	2	118.4228	0.060	4	119.2926	0.895	13	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2{1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	118.9980	2.209	7	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|H<1>,4|C<4>}	C[6,6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])2{2|C<3>,2|O<1>,3|C<4>,3|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	118.1200	0.414	2	118.1200	0.172	2	117.8965	0.194	4	118.9980	2.209	7	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6a]C[6])2{2|C<4>,2|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.6730	0.458	2	117.6730	0.210	2	117.8965	0.194	4	118.9980	2.209	7	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5930	0.000	1	119.5930	0.000	1	120.0885	0.491	2	118.9980	2.209	7	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.5840	0.000	1	120.5840	0.000	1	120.0885	0.491	2	118.9980	2.209	7	119.2491	1.776	76	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,4|C<3>}	118.4220	0.574	2	118.4220	0.330	2	118.4220	0.330	2	118.4220	0.330	2	117.7782	1.375	4	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a]){12|C<3>,1|H<1>}	117.1345	1.462	2	117.1345	2.136	2	117.1345	2.136	2	117.1345	2.136	2	117.7782	1.375	4	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:2:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:S[6a]-2:C[6]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]S[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H){5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]S[6a]C[6]){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H){4|C<3>}	121.8620	0.000	1	121.8620	0.000	1	121.8620	0.000	1	121.8620	0.000	1	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6]){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H){1|O<1>,3|C<3>}	118.8920	0.000	1	118.8920	0.000	1	118.7295	0.053	2	118.7295	0.053	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:N[6a]-2:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H){1|O<1>,3|C<3>}	118.5670	0.000	1	118.5670	0.000	1	118.7295	0.053	2	118.7295	0.053	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	120.4370	0.000	1	120.4370	0.000	1	120.0070	0.370	2	120.0070	0.370	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|N<2>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	119.5770	0.000	1	119.5770	0.000	1	120.0070	0.370	2	120.0070	0.370	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|C<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	118.7345	0.525	2	118.7345	0.276	2	118.7345	0.276	2	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O){1|Br<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{2|Br<1>,1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|Br<1>,1|O<1>,3|C<3>}	118.7955	0.457	2	118.7955	0.209	2	118.7955	0.209	2	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	117.8820	0.000	1	117.6133	0.096	3	117.6133	0.096	3	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	117.4790	0.288	2	117.6133	0.096	3	117.6133	0.096	3	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.1870	0.783	2	121.1870	0.614	2	121.1870	0.614	2	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	118.8312	0.198	4	118.8312	0.039	4	118.8312	0.039	4	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	120.8450	1.089	2	120.8450	1.186	2	120.8450	1.186	2	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|N<3>,2|H<1>,3|C<3>}	119.9780	0.000	1	119.6877	0.307	13	119.6877	0.307	13	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|H<1>,3|C<3>}	119.1790	0.423	2	119.6877	0.307	13	119.6877	0.307	13	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.3425	0.060	2	119.6877	0.307	13	119.6877	0.307	13	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.8660	0.402	6	119.6877	0.307	13	119.6877	0.307	13	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	119.8615	1.268	2	119.6877	0.307	13	119.6877	0.307	13	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]O[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]O[6]O){5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<1>,4|C<3>}	118.7720	0.137	2	118.7720	0.019	2	119.7492	0.912	5	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	120.6720	0.055	2	120.6720	0.003	2	119.7492	0.912	5	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|O<2>}	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	119.8580	0.000	1	119.8580	0.000	1	119.7492	0.912	5	119.4538	1.080	33	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC){1|H<1>,5|C<3>}	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[5a,6a]C[6])2(C[6,6a,6a]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O){1|C<4>,1|N<3>,6|C<3>}	C[6,6a,6a](C[6,6a]C[5a,6a]C[6])2(C[6,6a,6a]C[6,6a]2){1|N<3>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	118.9070	0.083	2	118.9070	0.007	2	120.0800	1.895	4	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[5a,6a]C[6])2(C[6,6a,6a]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[5a,6a]C[6])2(C[6,6a,6a]C[6,6a]2){2|O<1>,3|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|N<3>,1|O<1>,3|C<3>}	121.2530	0.419	2	121.2530	0.175	2	120.0800	1.895	4	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.2710	0.000	1	121.2710	0.000	1	121.2710	0.000	1	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.2680	0.000	1	120.2680	0.000	1	120.2680	0.000	1	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2){8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<1>,8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O){7|C<3>}	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	121.0870	0.177	2	121.0870	0.031	2	121.0870	0.031	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O){2|H<1>,5|C<3>}	120.9583	0.061	3	120.9583	0.004	3	120.9583	0.004	3	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.2440	0.233	2	121.2440	0.054	2	121.2440	0.054	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	119.6950	0.000	1	120.2925	0.278	4	120.2078	0.234	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	120.7620	0.000	1	120.2925	0.278	4	120.2078	0.234	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	120.0040	0.000	1	120.2925	0.278	4	120.2078	0.234	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	120.7090	0.000	1	120.2925	0.278	4	120.2078	0.234	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	120.3920	0.000	1	120.3920	0.000	1	120.2078	0.234	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	119.6850	0.000	1	119.6850	0.000	1	120.2078	0.234	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	119.9060	0.000	1	119.9060	0.000	1	119.9060	0.000	1	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O){8|C<3>}	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6]){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O){1|O<1>,6|C<3>}	114.9000	0.000	1	114.9000	0.000	1	116.2735	3.773	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O){8|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6]){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O){1|O<1>,6|C<3>}	117.6470	0.000	1	117.6470	0.000	1	116.2735	3.773	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a,6a]C[6])(C[3x6a]C[6a,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6a,6a]C[6])(C[3x6a]C[6a,6a]2){1|O<1>,8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O){7|C<3>}	118.4600	0.076	2	118.4600	0.006	2	118.4600	0.006	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[5,6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[5,6a,6a]C[5,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[5,6a,6a]C[5,6a]2){1|N<3>,2|O<1>,2|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	117.8275	0.026	2	117.8275	0.001	2	117.8275	0.001	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[6,6a,6a]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[6,6a,6a]C[6,6a]2){1|N<3>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	118.3725	0.375	2	117.5227	0.471	6	117.5227	0.471	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[6,6a,6a]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){2|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[6,6a,6a]C[6,6a]2){1|N<3>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	117.0978	0.125	4	117.5227	0.471	6	117.5227	0.471	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a,6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|O<1>,2|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	118.6010	0.180	2	118.6010	0.032	2	118.6010	0.032	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6]){1|Os<6>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H){1|Os<6>,4|C<3>}	115.8205	0.436	2	115.8205	0.190	2	116.3323	0.881	3	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a,6a]N[6]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	117.3560	0.000	1	117.3560	0.000	1	116.3323	0.881	3	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	118.0283	0.286	9	118.0283	0.082	9	117.9500	0.108	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]Ru)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<6>,1|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]Ru)(H){2|H<1>,3|C<3>}	117.5975	0.357	2	117.5975	0.128	2	117.9500	0.108	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[5,6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|Si<4>,1|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[5,6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.4265	0.036	2	118.4265	0.001	2	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O){1|N<3>,5|C<3>}	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6]){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.8050	0.000	1	117.8050	0.000	1	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.9045	0.166	2	117.9045	0.028	2	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){6|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.3270	0.000	1	120.3270	0.000	1	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|B<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|B<3>,1|O<1>,3|C<3>}	120.2855	0.064	2	120.2855	0.004	2	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|C<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	119.9327	0.997	4	119.9327	0.994	4	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[5a,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.2055	0.269	2	119.2055	0.073	2	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.2935	0.196	2	120.7235	0.355	16	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.5575	0.615	11	120.7235	0.355	16	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	121.0390	0.590	2	120.7235	0.355	16	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.7790	0.000	1	120.7235	0.355	16	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<2>,1|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	123.4070	0.000	1	120.6384	0.933	36	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.9270	0.000	1	120.6384	0.933	36	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.6996	0.791	18	120.6384	0.933	36	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.4930	0.321	2	120.6384	0.933	36	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.0620	0.000	1	120.6384	0.933	36	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.6441	0.784	10	120.6384	0.933	36	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.8557	1.356	3	120.6384	0.933	36	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.3770	0.409	2	120.5515	0.152	11	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	120.7910	0.461	2	120.5515	0.152	11	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.5848	0.413	6	120.5515	0.152	11	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.2210	0.000	1	120.5515	0.152	11	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|I<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6]){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	122.0420	0.000	1	122.0420	0.000	1	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|I<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.7950	0.000	1	120.7950	0.000	1	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O){1|C<4>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	119.2930	0.000	1	119.2930	0.000	1	120.4033	1.030	80	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]S){1|H<1>,5|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	119.4073	0.523	4	119.4073	0.273	4	119.4073	0.273	4	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5560	0.000	1	119.5560	0.000	1	119.5560	0.000	1	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.4980	0.076	2	119.4980	0.006	2	119.6903	0.140	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,5|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a]2)(C[6,6a]C[6a]C[6])2{2|Se<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.7865	0.442	4	119.7865	0.195	4	119.6903	0.140	6	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[3x6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6]){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.7890	0.000	1	119.7890	0.000	1	119.7890	0.000	1	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.0435	0.040	2	118.0435	0.002	2	118.0435	0.002	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|O<2>,3|C<3>}	121.3087	0.770	3	121.3087	0.592	3	121.3087	0.592	3	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Br)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Br)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{2|Br<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Br<1>,1|O<1>,3|C<3>}	118.1680	0.852	4	118.1680	0.725	4	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|C<4>,1|S<2>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|C<2>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	119.5890	0.000	1	119.5890	0.000	1	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|Cl<1>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	119.8120	0.000	1	119.8120	0.000	1	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	120.1073	1.145	31	120.0773	0.902	45	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	120.0109	0.133	14	120.0773	0.902	45	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,1|S<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.2647	0.359	4	120.5266	0.532	20	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.7726	0.233	8	120.5266	0.532	20	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,1|S<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.2730	0.320	2	120.5266	0.532	20	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|P<4>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|H<1>,1|N<3>,1|P<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.4123	0.223	3	120.5266	0.532	20	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|Cl<1>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.1060	0.000	1	120.5266	0.532	20	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,1|S<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.2015	0.069	2	120.5266	0.532	20	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	120.1442	0.198	4	120.1442	0.039	4	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	119.9780	0.215	2	119.9780	0.046	2	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|H<1>,1|N<3>,1|P<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	119.1030	0.369	3	119.1030	0.137	3	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]S)(C[6]N[6]O)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]S)(C[6]N[6]O){1|C<2>,1|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{1|C<2>,1|N<3>,1|S<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|S<2>,3|C<3>}	118.8810	0.000	1	118.8810	0.000	1	120.0347	0.944	81	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	120.0830	0.000	1	120.0830	0.000	1	119.8585	0.101	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[5])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[5])(O){1|H<1>,2|S<2>,4|C<3>}	119.6340	0.000	1	119.6340	0.000	1	119.8585	0.101	2	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[3x6a]C[3x6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[3x6a]C[3x6a]2){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.7060	0.485	4	119.7060	0.235	4	119.7060	0.235	4	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|C<4>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	118.0872	0.236	4	118.0872	0.056	4	118.4967	0.246	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|I<1>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.4430	0.000	1	118.7675	0.237	6	118.4967	0.246	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.4910	0.000	1	118.7675	0.237	6	118.4967	0.246	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.8827	0.169	3	118.7675	0.237	6	118.4967	0.246	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.0230	0.000	1	118.7675	0.237	6	118.4967	0.246	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	118.5100	0.000	1	118.5100	0.000	1	118.4967	0.246	11	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	120.8370	0.000	1	120.8370	0.000	1	119.4444	0.593	7	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|I<1>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	118.3920	0.000	1	118.3920	0.000	1	119.4444	0.593	7	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	119.9110	0.000	1	119.9110	0.000	1	119.4444	0.593	7	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	119.2817	0.239	3	119.2428	0.044	4	119.4444	0.593	7	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	119.1260	0.000	1	119.2428	0.044	4	119.4444	0.593	7	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.2780	0.133	2	120.2780	0.018	2	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	120.5135	0.375	2	120.5135	0.141	2	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.9013	0.232	4	120.1161	0.171	12	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	119.8787	0.247	4	120.1161	0.171	12	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	120.5683	0.322	4	120.1161	0.171	12	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.1560	0.000	1	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<2>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.3364	0.324	8	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.5325	0.401	2	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.1692	0.344	20	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|S<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.9522	0.650	4	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|S<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.2110	0.107	2	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.8557	0.172	3	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.0664	0.511	191	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.6250	0.423	20	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.7060	0.397	2	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|Br<1>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.4260	0.233	2	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.3970	0.442	61	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|Se<3>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.8470	0.047	2	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	119.5994	0.570	5	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.9660	0.000	1	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.0720	0.233	2	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Ir<6>,1|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.3250	0.319	3	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.1760	0.000	1	120.1961	0.295	330	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	119.4740	0.078	2	119.4740	0.006	2	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	120.0370	0.457	2	120.2205	0.187	10	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	120.7950	0.205	2	120.2205	0.187	10	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	120.0902	0.348	6	120.2205	0.187	10	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	121.0995	0.291	2	120.1718	0.185	48	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	120.1630	0.495	2	120.1718	0.185	48	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.0828	0.374	37	120.1718	0.185	48	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|Br<1>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.6330	0.000	1	120.1718	0.185	48	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.3380	0.430	6	120.1718	0.185	48	120.1899	0.273	406	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|Fe<6>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	117.3700	0.133	2	117.2073	0.049	4	117.4840	0.646	8	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|Mn<6>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	117.0445	0.152	2	117.2073	0.049	4	117.4840	0.646	8	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	118.0370	0.000	1	118.0370	0.000	1	117.4840	0.646	8	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2{1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	116.8910	0.187	2	116.8910	0.035	2	117.4840	0.646	8	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.2240	0.000	1	119.2240	0.000	1	117.4840	0.646	8	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.5370	0.000	1	120.5370	0.000	1	119.7786	0.977	5	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6]){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.1350	0.000	1	121.1350	0.000	1	119.7786	0.977	5	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|N<2>}	C[6,6a,6a](C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])(C[6,6a]N[6a]C[6]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.0240	0.000	1	119.0240	0.000	1	119.7786	0.977	5	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2{1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.0985	0.022	2	119.0985	0.000	2	119.7786	0.977	5	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2{2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.0363	0.360	3	120.0363	0.129	3	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2{2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.7180	0.287	2	120.7180	0.082	2	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	120.2920	0.000	1	120.2920	0.000	1	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.3640	0.000	1	120.3640	0.000	1	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2{2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.3310	0.472	3	120.3310	0.222	3	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])2{2|C<3>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.2120	0.025	2	120.2120	0.001	2	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.6940	0.000	1	120.5930	0.020	2	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	120.4920	0.000	1	120.5930	0.020	2	120.3431	0.118	14	120.0137	0.897	685	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN){1|H<1>,1|O<1>,3|C<3>}	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	120.7845	5.845	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]Si[6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Si<4>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]Si[6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]H)(OC[6a]){1|H<1>,2|C<4>,3|C<3>}	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	120.7845	5.845	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	118.2273	0.136	6	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C[5]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(C[5]S[5]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|S<2>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(C[5]S[5]2){1|H<1>,6|C<3>}	118.7260	0.000	1	118.7260	0.000	1	118.7260	0.000	1	118.2273	0.136	6	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]N[6,6]O[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a,6a](C[6,6a]N[6,6]O[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.5740	0.000	1	118.5740	0.000	1	118.5740	0.000	1	118.2273	0.136	6	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	118.2273	0.136	6	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	118.2273	0.136	6	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(CBr2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|O<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(CBr2){1|H<1>,4|C<3>}	117.8390	0.000	1	117.8390	0.000	1	117.8390	0.000	1	118.2273	0.136	6	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	116.6350	0.000	1	116.6350	0.000	1	119.4125	15.429	2	119.4125	15.429	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6,6a,6a](C[3x6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]S[6]){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3){1|H<1>,3|C<3>}	122.1900	0.000	1	122.1900	0.000	1	119.4125	15.429	2	119.4125	15.429	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O){1|C<4>,8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6]){1|C<4>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O){7|C<3>}	115.2360	0.000	1	115.2360	0.000	1	115.2360	0.000	1	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	121.4040	0.075	2	121.4040	0.006	2	121.4040	0.006	2	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|H<1>,1|O<1>,7|C<3>}	120.6415	0.589	2	120.6415	0.347	2	120.6415	0.347	2	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<1>,2|O<2>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O){1|O<2>,2|C<4>,3|C<3>}	120.1750	0.453	3	120.1750	0.205	3	120.1750	0.205	3	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]H)	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]O[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]RuO)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]H){1|Ru<8>,1|C<4>,2|C<3>,2|O<2>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]O[6a]C[6]){1|Ru<8>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]RuO)(H){1|O<1>,2|C<3>,2|O<2>}	119.5705	0.104	2	119.5705	0.011	2	119.5705	0.011	2	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O){1|H<1>,1|O<1>,3|C<3>}	121.0410	0.000	1	121.0410	0.000	1	120.3847	0.386	3	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,2|O<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O){1|H<1>,1|O<1>,3|C<3>}	120.0565	0.354	2	120.0565	0.126	2	120.3847	0.386	3	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	120.0399	2.312	14	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:B[6]-4:C-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]B[6]C)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]B[6]C){1|H<1>,1|N<3>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|B<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]C[6a]C[6]N[6])(CCH){1|H<1>,8|C<3>}	120.3085	0.452	2	120.3085	0.204	2	120.3085	0.204	2	120.3085	0.204	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O){1|N<3>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6]){1|C<4>,1|O<1>,1|S<2>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,5|C<3>}	117.7980	0.000	1	117.7980	0.000	1	117.5925	0.084	2	117.5925	0.084	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O){1|N<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6]){1|Se<2>,1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|Se<2>,1|N<2>,6|C<3>}	117.3870	0.000	1	117.3870	0.000	1	117.5925	0.084	2	117.5925	0.084	2	119.9640	1.017	752	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	120.2392	0.578	5	120.2392	0.334	5	120.2392	0.334	5	119.9930	0.631	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N){1|N<3>,3|H<1>,4|C<3>}	118.7620	0.000	1	118.7620	0.000	1	118.7620	0.000	1	119.9930	0.631	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:2:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|B<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	120.7530	0.000	1	120.7530	0.000	1	120.7530	0.000	1	120.7530	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:2:	3:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]N[6])(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[5,6]C[5,6]N[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:2:	4:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:N[6a]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a])	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(N[6a]C[6a]){1|B<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:2:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	120.9445	0.258	2	120.9445	0.067	2	120.9445	0.067	2	120.9445	0.067	2	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	116.0870	0.000	1	116.0870	0.000	1	117.6065	4.618	2	118.8870	7.228	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	119.1260	0.000	1	119.1260	0.000	1	117.6065	4.618	2	118.8870	7.228	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6]){1|S<2>,3|H<1>,5|C<3>}	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	118.8870	7.228	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.1680	0.000	1	119.1680	0.000	1	119.1680	0.000	1	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]P[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H)	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|P<3>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,4|C<3>}	121.7740	0.423	2	121.7740	0.179	2	120.0792	0.905	12	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	119.8192	0.591	6	119.7402	0.321	10	120.0792	0.905	12	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6a](C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	119.6217	0.590	4	119.7402	0.321	10	120.0792	0.905	12	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	119.7200	0.000	1	119.7200	0.000	1	120.0926	0.432	11	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	120.4220	0.078	2	120.4220	0.006	2	120.0926	0.432	11	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	118.8720	0.000	1	118.8720	0.000	1	120.0926	0.432	11	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	120.0955	0.521	2	119.8650	0.199	4	120.0926	0.432	11	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	119.6345	0.334	2	119.8650	0.199	4	120.0926	0.432	11	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	120.1710	0.000	1	120.1710	0.000	1	120.0926	0.432	11	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	120.9760	0.320	2	120.9760	0.102	2	120.0926	0.432	11	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	120.0107	0.830	3	120.0107	0.689	3	120.0107	0.689	3	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<2>,2|S<2>,4|C<3>,5|H<1>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]Si)(O[6]B[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[3x6]C[6])(C[6,6a]C[6a]O[6]){1|Si<4>,1|B<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]Si)(O[6]B[6,6]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){1|H<1>,3|O<2>,5|C<3>}	117.5445	0.631	2	117.5445	0.399	2	117.5445	0.399	2	119.8760	0.983	30	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,8|H<1>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	117.7893	1.840	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	117.1720	0.000	1	117.1720	0.000	1	117.5330	0.261	2	117.7893	1.840	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	117.8940	0.000	1	117.8940	0.000	1	117.5330	0.261	2	117.7893	1.840	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	118.3355	0.646	2	118.3355	0.417	2	118.3355	0.417	2	117.7893	1.840	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	115.5470	0.000	1	115.5470	0.000	1	115.5470	0.000	1	117.7893	1.840	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a]){1|O<2>,4|C<3>,5|H<1>}	120.3780	0.000	1	120.3780	0.000	1	119.6490	0.810	4	119.6490	0.810	4	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){1|O<2>,3|C<3>,6|H<1>}	119.4240	1.311	2	119.4240	1.719	2	119.6490	0.810	4	119.6490	0.810	4	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(N[6]C[5a,6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(N[6]C[5a,6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	119.3700	0.000	1	119.3700	0.000	1	119.6490	0.810	4	119.6490	0.810	4	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(C[6]C[6]H){1|O<2>,4|C<3>,5|H<1>}	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	119.2360	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6,6]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6])	C[6,6a](C[6,6]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6]){2|C<4>,2|H<1>,6|C<3>}	118.5620	0.000	1	118.5620	0.000	1	118.5620	0.000	1	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(O[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6]){1|H<1>,1|O<2>,8|C<3>}	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6]){1|C<4>,3|H<1>,5|C<3>}	120.0680	0.000	1	120.0680	0.000	1	119.4360	0.295	7	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	118.4670	0.000	1	118.4670	0.000	1	119.4360	0.295	7	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	119.2560	0.356	2	119.5034	0.103	5	119.4360	0.295	7	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	119.7525	0.196	2	119.5034	0.103	5	119.4360	0.295	7	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|Se<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	119.5000	0.000	1	119.5034	0.103	5	119.4360	0.295	7	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	119.0565	0.128	2	119.0565	0.016	2	119.6918	0.825	5	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,5|C<3>}	120.9710	0.000	1	120.9710	0.000	1	119.6918	0.825	5	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	120.3360	0.000	1	120.3360	0.000	1	119.6918	0.825	5	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	119.0390	0.000	1	119.0390	0.000	1	119.6918	0.825	5	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	118.2700	0.000	1	118.2700	0.000	1	119.1570	1.574	2	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]S[6])(O[6]C[6]){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	120.0440	0.000	1	120.0440	0.000	1	119.1570	1.574	2	119.3005	0.636	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	N[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a])	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	120.3530	0.000	1	120.3530	0.000	1	120.3530	0.000	1	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	118.3464	0.302	31	118.3464	0.091	31	118.3464	0.091	31	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2){2|N<3>,2|O<2>,6|C<3>}	118.3640	0.392	2	118.3640	0.153	2	118.3640	0.153	2	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	122.7933	0.385	6	122.7933	0.149	6	122.7933	0.149	6	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	120.1650	0.000	1	120.1650	0.000	1	120.0826	0.136	5	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	119.8603	0.156	3	119.8603	0.024	3	120.0826	0.136	5	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	120.6670	0.000	1	120.6670	0.000	1	120.0826	0.136	5	119.1866	2.387	48	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	117.7040	0.000	1	117.7040	0.000	1	118.1880	0.556	3	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	117.8130	0.000	1	117.8130	0.000	1	118.1880	0.556	3	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	119.0470	0.000	1	119.0470	0.000	1	118.1880	0.556	3	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	118.5380	0.000	1	118.9682	0.143	4	118.2253	1.194	9	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6,6]C[6]2C){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	119.1117	0.303	3	118.9682	0.143	4	118.2253	1.194	9	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	116.4890	0.000	1	116.6010	0.025	2	118.2253	1.194	9	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	116.7130	0.000	1	116.6010	0.025	2	118.2253	1.194	9	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	117.3480	0.000	1	117.3480	0.000	1	118.2253	1.194	9	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])(C[6,6]C[6]2C){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	119.1020	0.000	1	119.1020	0.000	1	118.2253	1.194	9	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6,6]C[6]2C){1|N<3>,4|H<1>,5|C<3>}	118.5030	0.000	1	118.5030	0.000	1	118.2253	1.194	9	118.2160	0.970	12	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:N[6]-2:	C[6,6a](C[6,6]C[3x6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]C[3x6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a]){5|H<1>,7|C<3>}	119.5330	0.000	1	119.5330	0.000	1	119.5330	0.000	1	119.4100	0.030	2	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]){1|Si<4>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	119.4100	0.030	2	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]MnH)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Mn<7>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]MnH)(N[6,6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	119.3430	0.000	1	119.3430	0.000	1	119.3430	0.000	1	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	118.5345	0.313	2	118.5345	0.098	2	117.4634	1.392	11	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.2390	0.000	1	117.2390	0.000	1	117.4634	1.392	11	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	118.2130	0.414	4	118.2130	0.172	4	117.4634	1.392	11	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2Ru)(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<7>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<7>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2Ru)(C[6]C[6,6a]H){1|H<1>,5|C<3>}	117.0730	0.000	1	117.0730	0.000	1	117.4634	1.392	11	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	116.8490	0.000	1	116.8490	0.000	1	117.4634	1.392	11	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|C<3>}	115.5075	0.732	2	115.5075	0.536	2	117.4634	1.392	11	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	118.7938	0.302	4	118.7938	0.091	4	118.7938	0.091	4	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	117.8208	1.494	17	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<2>,2|B<3>,3|C<3>,3|H<1>}	117.6740	0.000	1	117.9700	0.175	2	118.0157	0.094	3	119.8199	2.343	8	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|N<3>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	118.2660	0.000	1	117.9700	0.175	2	118.0157	0.094	3	119.8199	2.343	8	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]O)(C[6a]C[6a]2)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(B[6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	118.1070	0.000	1	118.1070	0.000	1	118.0157	0.094	3	119.8199	2.343	8	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	B[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H)	C[6,6a](B[5a,6]N[5,5a,6]O[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]2)	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](B[5a,6]N[5,5a,6]O[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	119.8199	2.343	8	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	120.9985	0.365	4	120.9985	0.134	4	120.9985	0.134	4	119.8199	2.343	8	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>,5|H<1>}	119.2045	0.537	2	119.2045	0.288	2	119.2045	0.288	2	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6]){3|C<3>,3|C<4>,5|H<1>}	118.0430	0.000	1	118.0430	0.000	1	117.8272	0.664	8	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	118.7290	0.000	1	117.7890	0.408	4	117.8272	0.664	8	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	117.6420	0.000	1	117.7890	0.408	4	117.8272	0.664	8	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	117.3925	0.067	2	117.7890	0.408	4	117.8272	0.664	8	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	117.5210	0.000	1	117.5210	0.000	1	117.8272	0.664	8	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	116.6750	0.000	1	116.6750	0.000	1	117.8272	0.664	8	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6])	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|S<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6]){1|C<4>,2|H<1>,3|C<3>,4|O<1>}	119.2230	0.000	1	119.2230	0.000	1	117.8272	0.664	8	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	121.6190	0.000	1	120.4637	1.082	3	120.3646	0.606	5	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	119.8860	0.402	2	120.4637	1.082	3	120.3646	0.606	5	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	119.9100	0.000	1	119.9100	0.000	1	120.3646	0.606	5	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a])	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a]){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	120.5220	0.000	1	120.5220	0.000	1	120.3646	0.606	5	118.8567	1.961	15	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	117.4980	0.295	3	117.4745	0.060	4	117.4745	0.060	4	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){3|C<4>,4|H<1>,5|C<3>}	117.4040	0.000	1	117.4745	0.060	4	117.4745	0.060	4	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	118.3250	0.000	1	117.8023	0.205	3	118.2627	0.589	8	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	117.5410	0.000	2	117.8023	0.205	3	118.2627	0.589	8	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]){3|C<4>,4|C<3>,5|H<1>}	118.4540	0.000	1	118.4540	0.000	1	118.2627	0.589	8	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,5|H<1>}	118.7820	0.000	1	118.7820	0.000	1	118.2627	0.589	8	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.1050	0.000	1	119.1050	0.000	1	118.2627	0.589	8	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	119.1890	0.000	1	119.1890	0.000	1	118.2627	0.589	8	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	117.1650	0.000	1	117.1650	0.000	1	118.2627	0.589	8	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	117.5483	0.448	3	117.5483	0.201	3	119.8056	13.232	7	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Ni)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]Ni)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Ni){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]Ni){1|C<4>,3|H<1>,4|C<3>}	125.1115	0.148	2	125.1115	0.022	2	119.8056	13.232	7	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	117.8360	0.000	1	117.8855	0.005	2	119.8056	13.232	7	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	117.9350	0.000	1	117.8855	0.005	2	119.8056	13.232	7	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	116.5145	0.145	2	116.5145	0.021	2	116.5303	0.054	4	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){2|C<4>,4|H<1>,6|C<3>}	116.8110	0.000	1	116.8110	0.000	1	116.5303	0.054	4	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6]2){3|C<4>,4|H<1>,5|C<3>}	116.2810	0.000	1	116.2810	0.000	1	116.5303	0.054	4	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N[6,6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	120.0982	0.225	9	120.1101	0.047	10	120.1101	0.047	10	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N[6,6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	120.2170	0.000	1	120.1101	0.047	10	120.1101	0.047	10	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	117.1440	0.000	1	117.1440	0.000	1	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	116.0005	0.624	2	116.0005	0.390	2	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	121.6590	0.000	1	121.1347	0.319	3	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|H<1>,2|I<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|I<1>,3|C<3>,3|H<1>}	120.5360	0.000	1	121.1347	0.319	3	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){2|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	121.2090	0.000	1	121.1347	0.319	3	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	119.4922	0.826	4	119.4922	0.683	4	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	119.9133	0.386	3	119.9133	0.149	3	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	119.4780	0.000	1	119.4780	0.000	1	119.2669	3.168	14	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	117.5576	0.705	31	117.5576	0.497	31	117.5576	0.497	31	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	118.3100	0.506	8	118.2758	0.244	13	117.9822	0.513	17	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	118.2212	0.527	5	118.2758	0.244	13	117.9822	0.513	17	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	116.8745	0.576	2	117.0280	0.175	4	117.9822	0.513	17	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	117.1815	0.315	2	117.0280	0.175	4	117.9822	0.513	17	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a]){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	118.3093	2.546	99	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,6|H<1>}	119.7560	0.000	1	119.7560	0.000	1	119.2438	0.285	6	119.2438	0.285	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	119.6935	0.047	2	119.6935	0.002	2	119.2438	0.285	6	119.2438	0.285	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]O[6]FH){1|C<4>,1|S<3>,2|C<3>,5|H<1>}	118.7970	0.000	1	118.7970	0.000	1	119.2438	0.285	6	119.2438	0.285	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	118.9760	0.000	1	118.9760	0.000	1	119.2438	0.285	6	119.2438	0.285	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	118.5470	0.000	1	118.5470	0.000	1	119.2438	0.285	6	119.2438	0.285	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	119.4560	0.000	1	119.5510	0.102	4	119.5510	0.102	4	119.5510	0.102	4	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){2|C<4>,3|C<3>,5|H<1>}	119.1400	0.000	1	119.5510	0.102	4	119.5510	0.102	4	119.5510	0.102	4	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]N[6]){2|C<4>,4|C<3>,4|H<1>}	119.8040	0.004	2	119.5510	0.102	4	119.5510	0.102	4	119.5510	0.102	4	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|B<3>,2|C<4>,3|C<3>,5|H<1>}	120.5330	0.000	1	120.6596	0.209	8	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	120.7927	0.422	6	120.6596	0.209	8	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	119.9880	0.000	1	120.6596	0.209	8	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]S){2|C<4>,3|C<3>,6|H<1>}	119.0890	0.000	1	119.0890	0.000	1	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	121.0395	0.022	2	121.0395	0.000	2	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	121.0410	0.000	1	121.0410	0.000	1	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[5,6]H){3|C<3>,3|C<4>,5|H<1>}	120.4173	0.587	3	120.4173	0.344	3	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	119.8467	0.304	7	119.8983	0.130	9	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	120.0790	0.631	2	119.8983	0.130	9	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	121.2380	0.000	1	120.9266	0.243	5	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){3|C<3>,3|C<4>,5|H<1>}	120.9060	0.000	1	120.9266	0.243	5	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	120.6380	0.791	2	120.9266	0.243	5	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	121.2130	0.000	1	120.9266	0.243	5	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.6610	0.000	1	120.6610	0.000	1	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	120.2170	0.000	1	120.2170	0.000	1	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	119.2860	0.000	1	119.2860	0.000	1	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6a]O[6]2)(C[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	118.6980	0.305	2	118.6980	0.093	2	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	119.6110	0.000	1	119.6110	0.000	1	120.2751	0.547	35	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	119.1883	0.485	3	119.2150	0.253	5	119.2150	0.253	5	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,3|H<1>,6|C<3>}	118.7370	0.000	1	119.2150	0.253	5	119.2150	0.253	5	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|C<4>,5|C<3>,5|H<1>}	119.7730	0.000	1	119.2150	0.253	5	119.2150	0.253	5	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,9|H<1>}	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	120.0380	0.867	43	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	4:3:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6])	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6]N[6]){3|C<3>,3|C<4>,7|H<1>}	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	118.0810	0.000	1	118.0810	0.000	1	118.0810	0.000	1	118.9740	1.595	2	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:3:4:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN)	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|C<4>,2|H<1>,7|C<3>}	119.8670	0.000	1	119.8670	0.000	1	119.8670	0.000	1	118.9740	1.595	2	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:2:	3:4:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	121.3473	0.598	3	121.3473	0.358	3	121.3473	0.358	3	121.3473	0.358	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]N[6,6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]N[6,6]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	120.1647	0.539	4	120.1647	0.291	4	119.8795	0.418	6	119.8795	0.418	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	118.9630	0.000	1	118.9630	0.000	1	119.8795	0.418	6	119.8795	0.418	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	119.6550	0.000	1	119.6550	0.000	1	119.8795	0.418	6	119.8795	0.418	6	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	3:4:2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-2:	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a])	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(Si[6]C[6a]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])	C[6,6a](C[6,6a]C[6a]Si[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(Si[6]C[6a]2O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]){1|Si<4>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	120.6010	0.000	1	120.6010	0.000	1	120.6010	0.000	1	120.6010	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[4,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[4,6,6]C[4,6]C[4]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	117.8820	0.470	2	117.8820	0.220	2	117.8820	0.220	2	117.6007	0.348	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.6007	0.348	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]N[6,6]C[6])(C[6a]C[6a]H){1|B<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]B[5,6]C[6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	122.5210	0.133	2	122.5210	0.018	2	122.5210	0.018	2	121.2587	4.789	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]O){1|Cr<9>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cr<9>,1|Mn<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	121.2587	4.789	3	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6,6]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[3x6]C[6]Fe)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6])(C[6a]C[6a]H){1|Fe<7>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[3x6]C[6]Fe)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	121.4180	0.000	1	119.0906	2.364	349	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:2:	3:2:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	119.4860	0.000	1	119.4860	0.000	1	119.4860	0.000	1	119.3170	0.057	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:2:	3:2:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O){1|C<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,2|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O){1|C<3>,1|O<1>,2|N<2>}	119.1480	0.000	1	119.1480	0.000	1	119.1480	0.000	1	119.3170	0.057	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:2:	3:3:2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)(SCo)	C[6,6a](C[6,6a]N[6a]O[6])(N[6a]C[6a,6a])(C[6]C[6]S){1|C<4>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|S<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]S)(SCo){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	117.7080	0.393	2	117.7080	0.155	2	117.7080	0.155	2	117.7080	0.155	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:3:	3:2:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|N<2>,3|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,2|N<3>}	118.2380	0.454	8	118.2380	0.206	8	118.2380	0.206	8	118.2380	0.206	8	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O){2|C<3>,3|N<2>}	122.6420	0.190	2	122.6420	0.036	2	122.6420	0.036	2	121.0704	2.093	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	120.7835	0.135	2	120.7835	0.018	2	121.3515	0.328	6	121.0704	2.093	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]N[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])2(O){2|N<2>,3|C<3>}	121.6355	0.467	4	121.6355	0.218	4	121.3515	0.328	6	121.0704	2.093	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.8640	0.000	1	118.6555	0.087	2	118.6555	0.087	2	121.0704	2.093	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:2:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]S){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|S<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	118.4470	0.000	1	118.6555	0.087	2	118.6555	0.087	2	121.0704	2.093	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:2:	3:2:2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC)	C[6,6a](C[6,6a]C[6a]O[6])(N[6a]C[6a])(C[6]O[6]N){1|N<3>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6])(NC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:2:	3:2:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(C[6]O[6]C){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(O[6]C[6,6a])(CCH){1|N<2>,3|C<3>}	119.2950	0.000	1	119.2950	0.000	1	119.2950	0.000	1	119.2950	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O){4|C<3>}	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H){4|C<3>}	123.5370	4.363	2	123.5370	19.034	2	123.5370	19.034	2	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.2027	0.395	3	118.1210	0.400	5	118.1210	0.400	5	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(N[6a]N[6a])(C[6]C[6]H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[6a]C[6])(N[6]C[6]Pd){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.9985	1.112	2	118.1210	0.400	5	118.1210	0.400	5	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	121.7040	0.000	1	121.7040	0.000	1	121.7040	0.000	1	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|Ru<6>,5|C<3>}	117.7290	0.061	2	117.7290	0.004	2	119.0102	1.722	5	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){3|C<3>}	120.8250	0.000	1	120.8250	0.000	1	119.0102	1.722	5	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	119.3840	0.170	2	119.3840	0.029	2	119.0102	1.722	5	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|I<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6])(I){5|C<3>}	116.5410	0.000	1	116.5410	0.000	1	116.5410	0.000	1	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|S<2>,3|C<3>}	120.9773	0.330	3	120.9773	0.109	3	120.6058	0.657	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O){1|H<1>,3|C<3>}	119.5740	0.000	1	119.5740	0.000	1	120.6058	0.657	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|Cl<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	120.4800	0.000	1	120.4800	0.000	1	120.6058	0.657	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	119.5960	0.000	1	119.5960	0.000	1	120.6058	0.657	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	120.3210	0.000	1	120.3210	0.000	1	120.6058	0.657	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O){1|H<1>,3|C<3>}	121.9430	0.000	1	121.9430	0.000	1	120.6058	0.657	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Cu){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	118.1590	0.000	1	118.1590	0.000	1	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Ru){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	118.1975	0.125	2	118.1975	0.016	2	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Zn<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	117.5870	0.000	1	117.1655	0.355	2	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|Zn<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]Zn){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	116.7440	0.000	1	117.1655	0.355	2	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Cr<8>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cr){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.9510	0.255	2	117.9510	0.065	2	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Rh<5>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.6260	0.000	1	117.8975	0.147	2	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Rh){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.1690	0.000	1	117.8975	0.147	2	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zr)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Zr<10>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zr){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.0980	0.000	1	118.0980	0.000	1	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]H){1|Al<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.3253	0.204	3	116.3253	0.042	3	117.5120	0.626	13	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	123.3510	0.024	2	123.3510	0.001	2	122.7244	0.311	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	122.6770	0.557	2	122.6770	0.310	2	122.7244	0.311	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|O<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	123.1760	0.000	1	123.1760	0.000	1	122.7244	0.311	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,3|O<2>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]O[6]C)(H){3|C<3>}	122.1877	0.075	3	122.1877	0.006	3	122.7244	0.311	8	119.6917	5.679	44	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]O){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a]){1|H<1>,1|N<3>,2|C<3>}	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	117.6480	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH){1|O<1>,3|C<3>}	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	120.5433	8.400	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(C[6]C[6]N){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,2|C<3>}	117.5210	0.000	1	117.5210	0.000	1	117.5210	0.000	1	120.5433	8.400	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN){1|H<1>,3|C<3>}	123.2990	0.000	1	123.2990	0.000	1	123.2990	0.000	1	120.5433	8.400	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl2)(O){2|Cl<1>,3|C<3>}	121.7500	0.000	1	121.7500	0.000	1	121.7500	0.000	1	121.7500	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|C<4>,5|C<3>}	117.9990	0.000	1	117.9990	0.000	1	117.9990	0.000	1	121.4600	9.182	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:3:1:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.1905	0.630	2	123.1905	0.397	2	123.1905	0.397	2	121.4600	9.182	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:4:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.7505	0.333	2	120.7505	0.111	2	120.7505	0.111	2	120.9938	4.578	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]C)	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]C){2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH){1|S<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[5a]H){2|C<3>,2|C<4>}	119.3000	0.000	2	119.3000	0.000	2	119.7870	0.712	3	120.9938	4.578	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.7610	0.000	1	120.7610	0.000	1	119.7870	0.712	3	120.9938	4.578	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:3:4:	3:4:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]C)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>}	125.1010	0.000	1	125.1010	0.000	1	125.1010	0.000	1	120.9938	4.578	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|C<4>,5|C<3>}	118.3640	0.000	1	118.3640	0.000	1	118.3640	0.000	1	118.3640	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O)	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]C[3])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	119.7280	0.000	1	119.7280	0.000	1	119.7280	0.000	1	119.5360	0.260	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[3,6]H)(H){1|N<3>,2|C<3>,2|C<4>}	119.8160	0.147	2	119.8160	0.022	2	119.8160	0.022	2	119.5360	0.260	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:2:3:	4:3:3:	3:3:1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.7840	0.000	1	118.7840	0.000	1	118.7840	0.000	1	119.5360	0.260	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a]){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a]){1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O){1|N<3>,2|C<3>,2|N<2>}	122.8915	0.202	2	122.8915	0.041	2	122.8915	0.041	2	121.8192	1.636	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:S[6a]-2:	C[6,6a]-3:C[6]-3:S[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a])	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O)	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O){1|H<1>,2|S<2>,3|C<3>}	120.7470	0.518	2	120.7470	0.268	2	120.7470	0.268	2	121.8192	1.636	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Co){1|H<1>,1|N<2>,5|C<3>}	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O){6|C<3>}	120.6470	0.000	1	120.6470	0.000	1	120.6470	0.000	1	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	121.9190	0.000	1	121.5600	0.258	2	121.4847	0.146	3	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|I<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	121.2010	0.000	1	121.5600	0.258	2	121.4847	0.146	3	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|C<4>,1|N<2>,4|C<3>}	121.3340	0.000	1	121.3340	0.000	1	121.4847	0.146	3	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl){1|H<1>,1|N<3>,4|C<3>}	117.2035	0.131	2	117.2035	0.017	2	117.2035	0.017	2	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a])	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O){5|C<3>}	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){1|C<4>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	124.7140	0.000	1	124.7140	0.000	1	124.7140	0.000	1	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){2|O<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	125.8880	0.000	1	125.8880	0.000	1	125.8880	0.000	1	121.7061	10.148	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(N[6a]C[6a]){1|Pt<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	116.6840	0.044	2	116.6840	0.002	2	116.6840	0.002	2	116.8557	0.089	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Pt<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	116.8557	0.089	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|N<2>,3|C<3>}	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<2>,1|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	117.3070	0.000	1	117.3070	0.000	1	117.3070	0.000	1	120.4468	4.873	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6,6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	118.4240	0.000	1	118.4240	0.000	1	118.4240	0.000	1	120.4468	4.873	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]H){2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	120.8170	0.000	1	120.8170	0.000	1	120.8170	0.000	1	120.4468	4.873	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	121.3250	0.000	1	121.3250	0.000	1	121.3845	0.007	2	120.4468	4.873	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	121.4440	0.000	1	121.4440	0.000	1	121.3845	0.007	2	120.4468	4.873	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	123.3640	0.000	1	123.3640	0.000	1	123.3640	0.000	1	120.4468	4.873	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6]){2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi){1|C<3>,1|C<4>,3|O<2>}	117.1840	0.215	2	117.1840	0.046	2	117.1840	0.046	2	117.1840	0.046	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:O[6]-2:	C[6,6a]-3:C[6]-3:O-3:	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi2)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(O[6]C[6]){1|O<2>,1|O<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi2){1|C<3>,1|C<4>,3|O<2>}	117.6385	0.373	4	117.6385	0.139	4	117.6385	0.139	4	117.6385	0.139	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>}	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]I){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){1|H<1>,1|N<2>,3|C<3>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	117.7553	0.257	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OCu)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OCu){1|C<4>,2|C<3>,2|O<2>}	117.5340	0.000	1	117.5340	0.000	1	117.5023	0.001	3	117.7553	0.257	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(ONi)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(ONi){1|C<4>,2|C<3>,2|O<2>}	117.5060	0.000	1	117.5060	0.000	1	117.5023	0.001	3	117.7553	0.257	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OZn)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OZn){1|C<4>,2|C<3>,2|O<2>}	117.4670	0.000	1	117.4670	0.000	1	117.5023	0.001	3	117.7553	0.257	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){1|Cl<1>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[3x6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.3280	0.000	1	120.3280	0.000	1	120.4355	0.023	2	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[3x6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	120.5430	0.000	1	120.5430	0.000	1	120.4355	0.023	2	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>,3|O<2>}	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>,3|O<2>}	122.9365	0.120	2	122.7925	0.033	4	122.8547	0.120	6	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|C<3>,1|O<2>,1|P<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6,6]C[5])(H){1|C<4>,1|N<3>,1|P<2>,2|C<3>,2|O<2>,3|H<1>}	122.6485	0.054	2	122.7925	0.033	4	122.8547	0.120	6	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.9790	0.673	2	122.9790	0.453	2	122.8547	0.120	6	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[4,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,4,4,6])(C[6a]C[6a]H)	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[4,6]H)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,4,4,6])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|N<3>,3|H<1>,4|O<2>}	C[6](N[4,6]Nb[3,4,4,6]O[4])(C[6,6a]C[6,6a]C[6a])(H){1|Nb<7>,1|H<1>,2|C<3>,5|O<2>}	122.9540	0.088	2	122.9540	0.008	2	122.9540	0.008	2	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C)	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[6](N[5,6]Ga[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	123.4070	0.000	1	123.4070	0.000	1	124.3729	1.850	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[3x5,6,6])(C[6a]C[6a]H)	C[6](N[5,6]In[3x5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Cl<1>,1|In<6>,1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[3x5,6,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<3>,2|N<4>,3|H<1>}	C[6](N[5,6]In[3x5,6,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	123.7915	1.592	2	123.7915	2.534	2	124.3729	1.850	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<2>}	124.1460	0.693	2	124.1460	0.480	2	124.3729	1.850	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C)	C[6](N[5,6]In[5,5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,1|N<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|N<3>,2|S<2>,3|H<1>}	C[6](N[5,6]In[5,5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|O<2>,2|S<2>,3|C<3>}	124.2865	0.517	2	124.2865	0.267	2	124.3729	1.850	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]Si)	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<6>,1|Si<4>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,5,6,6])(C[6a]C[6a]Si){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<3>,3|O<2>}	123.5235	1.136	2	123.5235	1.291	2	124.3729	1.850	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	C[6](N[5,6]In[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|In<5>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[6](N[5,6]In[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	126.0270	0.478	4	126.0270	0.228	4	124.3729	1.850	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]H)(C[6a]C[6a]H){1|Si<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|O<2>,6|C<3>}	122.2100	0.000	1	122.2100	0.000	1	124.3729	1.850	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|C<4>,1|N<2>,4|C<3>}	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	118.4390	0.000	1	118.4390	0.000	1	118.4390	0.000	1	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.2293	0.295	3	118.2293	0.087	3	118.6063	0.626	4	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Cl<1>,1|N<2>,3|C<3>}	119.7370	0.000	1	119.7370	0.000	1	118.6063	0.626	4	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ru)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ru)(H){1|H<1>,1|N<2>,3|C<3>}	117.0360	0.361	2	117.0360	0.130	2	117.5203	0.436	4	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.0045	0.489	2	118.0045	0.239	2	117.5203	0.436	4	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]Cl){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	116.3140	0.000	1	116.3140	0.000	1	118.3704	0.926	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]W)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|W<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]W){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	117.9430	0.000	1	117.9430	0.000	1	118.3704	0.926	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.5430	0.000	1	118.5773	0.647	12	118.3704	0.926	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.8776	0.534	9	118.5773	0.647	12	118.3704	0.926	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.2435	0.678	2	118.5773	0.647	12	118.3704	0.926	14	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:S-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.0175	0.103	2	122.0175	0.011	2	122.0175	0.011	2	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|N<2>}	119.5560	0.000	2	119.5560	0.000	2	119.5560	0.000	2	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.1690	0.000	1	118.1690	0.000	1	117.4205	0.541	4	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	116.5270	0.000	1	116.5270	0.000	1	117.4205	0.541	4	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|O<1>}	117.4930	0.505	2	117.4930	0.255	2	117.4205	0.541	4	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	120.5194	8.150	60	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<2>,2|C<3>,2|H<1>}	120.1950	0.000	1	120.1950	0.000	1	120.1950	0.000	1	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|N<2>,1|O<1>,3|C<3>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.3510	0.000	1	122.3510	0.000	1	121.8966	0.150	5	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.5220	0.000	1	121.5220	0.000	1	121.8966	0.150	5	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.6740	0.137	2	121.6740	0.019	2	121.8966	0.150	5	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|H<1>,2|N<2>}	122.2620	0.000	1	122.2620	0.000	1	121.8966	0.150	5	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|O<2>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|O<1>}	117.1280	0.000	1	117.1280	0.000	1	117.1280	0.000	1	120.8580	2.798	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|O<2>,4|C<3>,5|H<1>}	121.9080	0.512	2	121.3094	0.550	5	121.3094	0.550	5	120.6549	4.172	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>,2|N<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Si[5,6,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|N<2>,2|O<2>,4|C<3>,5|H<1>}	120.9103	0.610	3	121.3094	0.550	5	121.3094	0.550	5	120.6549	4.172	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Si<6>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>,4|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[5,6,6]C)(C[6a]C[6a]2){2|O<2>,3|H<1>,3|N<3>,4|C<3>}	121.1225	0.605	4	121.1225	0.366	4	121.1225	0.366	4	120.6549	4.172	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	120.6325	0.373	2	121.5657	2.682	3	121.5657	2.682	3	120.6549	4.172	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<6>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|O<2>,3|H<1>,8|C<3>}	123.4320	0.000	1	121.5657	2.682	3	121.5657	2.682	3	120.6549	4.172	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:Se[6]-2:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(Se[6]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|Se<2>,2|H<1>,2|N<2>,6|C<3>}	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	120.6549	4.172	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	114.5890	0.000	1	114.5890	0.000	1	114.5890	0.000	1	120.6549	4.172	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	118.5280	0.067	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.3580	0.000	1	118.5925	0.110	2	118.5925	0.110	2	118.5280	0.067	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.8270	0.000	1	118.5925	0.110	2	118.5925	0.110	2	118.5280	0.067	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[3,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.3385	0.537	2	120.3385	0.288	2	120.3385	0.288	2	120.3920	0.102	7	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.0400	0.000	1	120.2253	0.026	3	120.3358	0.066	4	120.3920	0.102	7	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.3180	0.016	2	120.2253	0.026	3	120.3358	0.066	4	120.3920	0.102	7	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,4x6])(C[6a]C[6a]C){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	120.6670	0.000	1	120.6670	0.000	1	120.3358	0.066	4	120.3920	0.102	7	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	120.3920	0.102	7	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	118.6825	0.339	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.6825	0.339	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	117.5210	0.000	1	117.5210	0.000	1	117.5210	0.000	1	117.5210	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	120.9300	0.191	2	120.9300	0.036	2	120.9300	0.036	2	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.3392	0.221	5	120.3392	0.049	5	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.7090	0.000	1	122.7090	0.000	1	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.6450	0.049	2	120.5323	0.035	4	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.4195	0.226	2	120.5323	0.035	4	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.5980	0.000	1	120.7434	0.034	5	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.8423	0.177	3	120.7434	0.034	5	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.5920	0.000	1	120.7434	0.034	5	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|N<2>,1|N<3>,3|C<4>}	118.2050	0.000	1	118.2050	0.000	1	120.5285	0.733	16	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	117.7460	0.000	1	118.3810	0.245	4	118.3810	0.245	4	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	118.5927	0.315	3	118.3810	0.245	4	118.3810	0.245	4	120.0343	1.434	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:2:4:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	121.1930	0.188	2	121.1930	0.035	2	121.1930	0.035	2	121.1930	0.035	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	118.2590	0.707	2	118.2590	0.500	2	118.2590	0.500	2	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	117.7902	0.516	9	117.7902	0.266	9	117.7902	0.266	9	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	118.6380	0.000	3	118.2158	0.508	5	118.2158	0.508	5	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,3|C<3>}	117.5825	0.834	2	118.2158	0.508	5	118.2158	0.508	5	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	116.5558	0.082	4	116.5558	0.007	4	116.5558	0.007	4	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.7940	0.000	1	115.7940	0.000	1	115.7940	0.000	1	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.0860	0.000	1	119.1571	0.142	9	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1613	0.434	7	119.1571	0.142	9	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>}	119.1990	0.000	1	119.1571	0.142	9	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|H<1>,1|P<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]P[6]){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	122.4610	0.000	1	122.4610	0.000	1	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|B<3>,1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|B<3>,1|O<2>,2|C<3>,2|C<4>}	120.0440	0.000	1	120.0440	0.000	1	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	118.1880	0.000	1	118.1880	0.000	1	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|H<1>,2|C<3>,2|O<2>}	122.4700	0.000	1	122.4700	0.000	1	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.2070	0.174	2	119.2070	0.030	2	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<3>}	120.2795	0.071	2	120.2795	0.005	2	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	118.9025	0.177	2	118.9025	0.032	2	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|H<1>,2|C<3>,2|O<2>}	122.4350	0.000	1	122.1875	0.162	4	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.4120	0.000	1	122.1875	0.162	4	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Rh<4>,1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|Rh<4>,1|H<1>,2|C<3>,2|O<2>}	121.9515	0.514	2	122.1875	0.162	4	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|C<4>,2|O<2>,3|C<3>}	119.8260	0.000	1	119.8260	0.000	1	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|O<2>,4|C<3>}	120.2190	0.000	1	120.2190	0.000	1	120.0460	1.938	25	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|S<2>,4|C<3>}	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.2120	0.205	2	117.2120	0.042	2	117.2120	0.042	2	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.0256	0.611	5	119.0256	0.374	5	119.0256	0.374	5	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]P[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]O[6]O){1|P<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]P[6])(O){1|Cl<1>,1|O<2>,3|C<3>}	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	119.0526	3.120	56	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	120.4965	11.660	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.9110	0.000	1	122.9110	0.000	1	122.9110	0.000	1	120.4965	11.660	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]O[6]C){3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H){1|H<1>,2|C<3>,2|N<2>}	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCI){1|H<1>,1|N<2>,3|C<3>}	117.3245	1.481	2	117.3245	2.195	2	117.0788	0.484	9	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2){1|H<1>,1|N<2>,3|C<3>}	117.6020	0.000	1	117.6020	0.000	1	117.0788	0.484	9	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	116.2990	0.000	1	116.2990	0.000	1	117.0788	0.484	9	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	116.5110	0.000	1	116.7917	0.079	3	117.0788	0.484	9	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	116.9320	0.199	2	116.7917	0.079	3	117.0788	0.484	9	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,1|N<2>,3|C<3>}	117.1960	0.000	1	117.1960	0.000	1	117.0788	0.484	9	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CSiI){1|H<1>,1|N<2>,3|C<3>}	117.5880	0.000	1	117.5880	0.000	1	117.0788	0.484	9	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.2540	0.000	1	122.2540	0.000	1	122.1060	0.044	2	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.9580	0.000	1	121.9580	0.000	1	122.1060	0.044	2	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	117.4850	0.000	1	117.9240	0.385	2	118.0877	0.273	3	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,2|C<3>,3|O<2>}	118.3630	0.000	1	117.9240	0.385	2	118.0877	0.273	3	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|H<1>,2|C<3>,2|F<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	118.4150	0.000	1	118.4150	0.000	1	118.0877	0.273	3	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]O[6]C){1|B<4>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|F<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|O<1>,1|O<2>,2|F<1>,2|N<3>}	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	118.2825	0.006	2	117.9717	0.290	3	117.9717	0.290	3	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]C){1|B<4>,1|I<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CCH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	117.3500	0.000	1	117.9717	0.290	3	117.9717	0.290	3	118.2393	3.326	19	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	120.1125	0.056	2	120.1125	0.003	2	120.1125	0.003	2	119.1180	2.969	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:O[6]-2:N-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]N){1|B<4>,1|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<4>,1|O<2>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(NH3){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	119.1180	2.969	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	115.7220	0.000	1	115.7220	0.000	1	117.7829	1.191	14	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[5,6]H)(H){1|O<2>,5|C<3>}	116.6940	0.000	1	116.6940	0.000	1	117.7829	1.191	14	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	115.6420	0.000	1	117.9395	1.357	6	117.7829	1.191	14	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.3990	0.335	5	117.9395	1.357	6	117.7829	1.191	14	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	117.6475	0.136	2	118.1513	0.462	6	117.7829	1.191	14	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.4032	0.714	4	118.1513	0.462	6	117.7829	1.191	14	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6])	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]N[6]H){2|B<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H){2|F<1>,2|O<2>,4|C<3>}	119.8824	0.962	5	119.8824	0.926	5	119.8824	0.926	5	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	116.7070	0.000	1	116.7070	0.000	1	118.1450	0.558	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.7477	0.245	3	118.7477	0.060	3	118.1450	0.558	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.0725	0.084	2	118.0217	0.011	3	118.1450	0.558	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	117.9200	0.000	1	118.0217	0.011	3	118.1450	0.558	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	120.9900	0.000	1	120.9900	0.000	1	121.1585	0.057	2	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	121.3270	0.000	1	121.3270	0.000	1	121.1585	0.057	2	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	119.2820	0.000	1	119.6085	0.213	2	120.1307	0.925	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|I<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	119.9350	0.000	1	119.6085	0.213	2	120.1307	0.925	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	121.1750	0.000	1	121.1750	0.000	1	120.1307	0.925	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a])	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	120.1290	0.000	1	120.1290	0.000	1	120.1290	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[5,6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	118.6030	0.000	1	118.6030	0.000	1	118.6030	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|S<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S){1|H<1>,1|O<2>,4|C<3>}	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	118.7040	0.000	1	118.7040	0.000	1	118.5412	0.332	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.4410	0.000	1	118.4870	0.480	3	118.5412	0.332	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	118.5100	0.979	2	118.4870	0.480	3	118.5412	0.332	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.5770	0.000	1	118.0027	0.136	3	118.0027	0.136	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	118.2200	0.000	1	118.0027	0.136	3	118.0027	0.136	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.2110	0.000	1	118.0027	0.136	3	118.0027	0.136	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	121.0020	0.000	1	121.0020	0.000	1	121.0020	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	117.8945	0.752	2	117.8945	0.565	2	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.7240	0.000	1	118.0367	0.254	13	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	117.3970	0.000	1	118.0367	0.254	13	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	118.2150	0.000	1	118.0367	0.254	13	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,4|C<3>}	117.9170	0.000	1	118.0367	0.254	13	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	117.6633	0.373	4	118.0367	0.254	13	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.9950	0.000	1	118.0367	0.254	13	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.6440	0.119	4	118.0367	0.254	13	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	119.0870	0.000	1	119.4410	0.251	2	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]H)(C[6a]O[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	119.7950	0.000	1	119.4410	0.251	2	118.1852	0.467	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	119.6330	0.000	1	119.7868	0.298	5	119.7689	0.423	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.2890	0.000	2	119.7868	0.298	5	119.7689	0.423	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,2|O<2>,4|C<3>}	119.3615	0.548	2	119.7868	0.298	5	119.7689	0.423	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|O<2>}	119.3460	0.000	1	120.2514	0.387	5	119.7689	0.423	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	120.4778	0.417	4	120.2514	0.387	5	119.7689	0.423	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,3|O<2>}	119.0820	0.191	2	119.4114	0.328	7	119.7689	0.423	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	119.5432	0.638	5	119.4114	0.328	7	119.7689	0.423	17	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|O<2>,2|H<1>,4|C<3>}	117.9340	0.242	2	117.9340	0.058	2	117.9340	0.058	2	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[3x6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6])	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6x6]){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	122.3153	0.059	3	122.3153	0.004	3	123.4757	1.665	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[3x6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]In[6x6])	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[3x6]H)(C[6a]C[6a]H){1|In<6>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]In[6x6]){1|C<3>,2|O<2>,3|H<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	124.6360	0.346	3	124.6360	0.120	3	123.4757	1.665	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	120.4360	0.000	1	119.9635	0.447	2	120.1833	0.214	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.4910	0.000	1	119.9635	0.447	2	120.1833	0.214	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	120.4320	0.000	1	120.4030	0.002	2	120.1833	0.214	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|O<2>,6|C<3>}	120.3740	0.000	1	120.4030	0.002	2	120.1833	0.214	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	119.2940	0.000	1	119.2940	0.000	1	121.0440	2.662	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]H)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[3x6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	121.9190	0.854	2	121.9190	0.730	2	121.0440	2.662	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.2690	0.000	1	120.2690	0.000	1	120.1540	0.024	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.0965	0.169	2	120.0965	0.029	2	120.1540	0.024	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|F<1>,1|O<2>,2|H<1>,2|N<3>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|F<1>,1|H<1>,2|O<2>,4|C<3>}	119.4155	0.401	2	119.3307	0.102	3	118.9605	0.616	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	119.1610	0.000	1	119.3307	0.102	3	118.9605	0.616	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6])	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]B[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	117.8500	0.000	1	117.8500	0.000	1	118.9605	0.616	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	119.5520	0.000	1	119.5520	0.000	1	119.5007	0.078	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a])	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6a]){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){3|O<2>,5|C<3>}	119.4750	0.390	2	119.4750	0.152	2	119.5007	0.078	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	123.9800	0.113	2	123.9800	0.013	2	123.9800	0.013	2	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	124.5290	0.000	1	124.5290	0.000	1	124.5290	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	121.0820	0.000	1	121.0820	0.000	1	121.0820	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]H)(C[6a]N[6a]O){2|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|C<4>}	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,1|N<2>,3|C<3>}	120.9452	0.340	5	120.9452	0.116	5	120.9452	0.116	5	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|N<2>,4|C<3>}	118.7493	0.701	3	118.7493	0.491	3	121.4633	1.783	24	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,1|N<2>,3|C<3>}	121.7095	0.774	2	121.7095	0.600	2	121.4633	1.783	24	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	121.1070	0.154	2	121.8659	0.785	19	121.4633	1.783	24	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	122.1063	0.919	13	121.8659	0.785	19	121.4633	1.783	24	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	121.9705	0.422	2	121.8659	0.785	19	121.4633	1.783	24	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	120.9575	0.452	2	121.8659	0.785	19	121.4633	1.783	24	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.9385	0.139	2	116.9385	0.019	2	117.8050	0.734	5	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.3827	0.454	3	118.3827	0.206	3	117.8050	0.734	5	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]O[6a]O)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]B[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]O[6a]O)(C[6]N[6]H){1|B<4>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]B[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	119.2930	0.000	1	119.2930	0.000	1	119.2930	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){1|C<4>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	118.4420	0.000	1	118.4420	0.000	1	118.5906	0.384	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	119.2910	0.000	1	119.2910	0.000	1	118.5906	0.384	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	117.6330	0.000	1	117.6330	0.000	1	118.5906	0.384	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	119.3100	0.000	1	119.3100	0.000	1	118.5906	0.384	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	118.6830	0.000	1	118.7175	0.002	2	118.5906	0.384	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	118.7520	0.000	1	118.7175	0.002	2	118.5906	0.384	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,2|H<1>,4|C<3>}	118.0230	0.000	1	118.0230	0.000	1	118.5906	0.384	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.3090	0.000	1	117.3090	0.000	1	118.5597	1.291	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]H)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	119.1850	0.485	2	119.1850	0.235	2	118.5597	1.291	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|N<2>,3|C<3>}	118.8970	0.000	1	118.8970	0.000	1	118.8375	0.007	2	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|F<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|N<2>}	118.7780	0.000	1	118.7780	0.000	1	118.8375	0.007	2	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ir)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ir)(H){1|H<1>,1|N<2>,3|C<3>}	116.6690	0.157	2	116.6690	0.025	2	116.9785	0.111	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mo)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Mo<7>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Mo<7>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mo)(H){1|H<1>,1|N<2>,2|C<3>}	117.2835	0.375	2	117.2835	0.141	2	116.9785	0.111	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.9830	0.109	2	116.9830	0.012	2	116.9785	0.111	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.0930	0.151	2	118.0930	0.023	2	118.8310	0.734	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.5690	0.000	2	119.5690	0.000	2	118.8310	0.734	4	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|C<3>,3|H<1>}	117.1775	0.194	2	116.9853	0.130	3	116.9853	0.130	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|H<1>,3|C<3>}	116.6010	0.000	1	116.9853	0.130	3	116.9853	0.130	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.3470	0.000	1	117.3470	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.8690	0.000	1	117.5226	0.133	5	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	117.6830	0.000	1	117.5226	0.133	5	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.3537	0.387	3	117.5226	0.133	5	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	116.9400	0.000	1	116.9400	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.9240	0.363	2	118.9240	0.132	2	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	116.6950	0.000	1	118.0928	0.597	6	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.3724	0.399	5	118.0928	0.597	6	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.1046	1.012	9	118.1046	1.025	9	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	116.0730	0.000	1	116.2425	0.057	2	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	116.4120	0.000	1	116.2425	0.057	2	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	117.6720	0.000	1	117.6720	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.4025	0.484	2	118.4025	0.235	2	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|O<2>,2|H<1>,3|C<3>}	117.4670	0.000	1	117.4670	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|O<2>,3|C<3>}	118.0280	0.286	3	118.0280	0.082	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	117.1400	0.000	1	117.1400	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.9340	0.000	1	117.9340	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.8773	0.585	18	117.8491	0.241	27	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.9000	0.209	2	117.8491	0.241	27	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.5770	0.253	2	117.8491	0.241	27	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.8680	0.230	4	117.8491	0.241	27	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.7090	0.000	1	117.8491	0.241	27	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.7395	0.037	2	117.6230	0.041	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.3900	0.000	1	117.6230	0.041	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	118.5590	0.000	1	118.5590	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|O<2>,2|C<3>,2|N<2>,3|H<1>}	118.3720	0.000	1	118.4023	0.034	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	118.2360	0.000	1	118.4023	0.034	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	118.5990	0.000	1	118.4023	0.034	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<1>,1|O<2>,2|C<3>}	117.8420	0.000	1	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	117.7440	0.000	1	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<3>}	117.3410	0.000	1	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.6640	0.171	3	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.9525	0.108	2	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Ru<8>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|Ru<8>,1|H<1>,1|O<2>,2|C<3>}	116.8470	0.000	1	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	117.6773	0.427	7	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	117.9783	0.117	3	117.7025	0.135	19	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	117.3590	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	117.8225	0.709	2	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.0880	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	117.5230	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	117.2920	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	117.6720	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	117.5660	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	117.8130	0.379	2	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.9760	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	117.7080	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	116.9980	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	118.1300	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	117.8520	0.037	2	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	118.1910	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	117.9060	0.000	1	117.7436	0.132	18	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.7870	0.000	1	117.7870	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	117.6080	0.000	1	117.6080	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,2|O<2>,3|C<3>}	118.1850	0.340	4	118.1850	0.116	4	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,2|O<2>,5|C<3>}	118.1773	0.163	3	118.1860	0.018	4	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	118.2120	0.000	1	118.1860	0.018	4	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.1280	0.000	1	117.1280	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.5680	0.277	2	116.5680	0.077	2	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.6990	0.000	1	117.6990	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.9390	0.000	1	117.3183	0.388	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|H<1>}	117.5080	0.748	2	117.3183	0.388	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	117.2175	0.189	2	117.2033	0.018	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	117.1750	0.000	1	117.2033	0.018	3	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,2|O<2>,5|C<3>}	117.5020	0.000	1	117.5020	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	116.9760	0.000	1	116.9760	0.000	1	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.0220	0.000	1	117.8957	0.123	8	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.6010	0.000	1	117.8957	0.123	8	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	117.7572	0.215	6	117.8957	0.123	8	117.7881	0.344	136	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	117.6280	0.000	1	117.6280	0.000	1	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	119.2287	0.456	3	119.2287	0.208	3	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	119.9090	0.000	1	119.9090	0.000	1	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	119.9520	0.000	1	119.9520	0.000	1	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.0890	0.000	1	118.0890	0.000	1	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	119.6900	0.000	1	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.4400	0.000	1	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	120.4500	0.000	1	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>,2|O<2>}	119.5200	0.000	1	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	120.2379	0.222	8	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	120.3436	0.983	10	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.8230	0.000	1	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.6790	0.000	1	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.1985	0.678	15	119.6902	0.874	39	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.6220	0.000	1	119.6220	0.000	1	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	122.9380	0.000	1	122.1688	0.655	4	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	121.9123	0.767	3	122.1688	0.655	4	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){2|C<3>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	121.4070	0.000	1	121.4070	0.000	1	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	120.2870	0.000	1	119.5750	0.205	5	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	119.4185	0.404	2	119.5750	0.205	5	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	119.3755	0.149	2	119.5750	0.205	5	119.8028	1.265	57	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	119.3590	0.000	1	119.3590	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	118.9190	0.000	1	118.8770	0.212	3	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,3|O<2>,4|C<3>}	119.3150	0.000	1	118.8770	0.212	3	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	118.3970	0.000	1	118.8770	0.212	3	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6,6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	122.7200	0.000	1	122.7200	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<4>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	122.6310	0.000	1	122.6310	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	123.6070	0.277	7	123.6070	0.077	7	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Nb<6>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6]){1|C<3>,1|N<2>,1|N<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|N<4>,2|O<2>,4|C<3>}	121.9650	0.000	1	121.9650	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Nb<6>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6]){2|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H){2|Cl<1>,1|H<1>,3|O<2>,4|C<3>}	121.8910	0.000	1	121.8910	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){2|Cl<1>,1|B<4>,1|C<3>,1|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	117.9843	0.221	3	117.9843	0.049	3	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<4>,2|Cl<1>,1|C<3>,1|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]Ga[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3380	0.000	1	122.3380	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[3x6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.1430	0.000	1	117.1430	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	116.8750	0.000	1	116.8750	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[5a,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H){1|H<1>,3|O<2>,4|C<3>}	119.1110	0.000	1	119.1110	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H){1|H<1>,2|C<3>,3|O<2>}	118.7775	0.268	2	118.7775	0.072	2	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	118.5170	0.000	1	118.9137	0.071	16	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	118.8852	0.192	9	118.9137	0.071	16	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|C<3>,3|O<2>}	118.4780	0.000	1	118.9137	0.071	16	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	119.1314	0.215	5	118.9137	0.071	16	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H){1|Fe<10>,1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	119.1560	0.000	1	119.1560	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	119.7280	0.000	1	119.7280	0.000	1	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	118.5250	0.000	1	119.3283	0.162	11	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,1|N<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	119.1215	0.596	2	119.3283	0.162	11	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	119.5223	0.204	7	119.3283	0.162	11	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	119.1870	0.000	1	119.3283	0.162	11	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<4>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	122.9610	0.000	1	123.3585	0.316	2	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<5>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|Cl<1>,1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	123.7560	0.000	1	123.3585	0.316	2	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|Si<4>,1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	124.1895	0.733	4	124.1895	0.537	4	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|In<4>,1|Si<4>,1|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]In[6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	125.2640	0.287	2	125.2640	0.082	2	120.4187	5.404	61	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.7720	0.000	1	115.7720	0.000	1	120.0859	5.236	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.2050	1.308	4	119.2050	1.710	4	120.0859	5.236	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.9730	0.000	1	118.9730	0.000	1	120.0859	5.236	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.3160	0.000	1	119.3160	0.000	1	120.0859	5.236	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Pd<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Pd<4>,1|H<1>,1|O<2>,3|C<3>}	122.5095	0.223	2	122.5160	0.020	4	120.0859	5.236	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Ru<9>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	122.4470	0.000	1	122.5160	0.020	4	120.0859	5.236	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|Se<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	122.5980	0.000	1	122.5160	0.020	4	120.0859	5.236	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	121.4000	0.000	1	121.5380	0.038	2	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|H<1>,3|C<3>}	121.6760	0.000	1	121.5380	0.038	2	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|S<2>,2|H<1>,3|C<3>}	120.5935	0.876	4	120.7504	0.698	5	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<1>,1|S<2>,2|C<3>}	121.3780	0.000	1	120.7504	0.698	5	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.9810	0.000	1	121.2253	0.051	3	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	121.2680	0.000	1	121.2253	0.051	3	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	121.4270	0.000	1	121.2253	0.051	3	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(S[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|S<2>,2|H<1>,3|C<3>}	120.9120	0.000	1	120.9120	0.000	1	121.0378	0.397	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|S<2>,2|C<3>,3|H<1>}	123.1290	0.382	3	123.1290	0.146	3	123.1290	0.146	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.5380	0.000	1	123.3738	0.065	8	123.3738	0.065	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<2>,2|H<1>,5|C<3>}	123.3503	0.265	7	123.3738	0.065	8	123.3738	0.065	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|Se<2>,1|H<1>,1|O<1>,4|C<3>}	125.8180	0.000	1	125.8180	0.000	1	125.8180	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	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])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	117.9560	0.000	1	117.9560	0.000	1	118.8820	1.310	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	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])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	117.8720	0.025	2	118.7212	1.043	4	118.8820	1.310	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	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])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	119.5705	0.493	2	118.7212	1.043	4	118.8820	1.310	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	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])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	120.4510	0.000	1	120.4510	0.000	1	118.8820	1.310	6	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	118.7990	0.000	1	118.7990	0.000	1	118.0539	0.478	9	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	117.8165	0.686	6	117.8165	0.471	6	118.0539	0.478	9	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a]){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	117.9790	0.000	1	117.9790	0.000	1	118.0539	0.478	9	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|N<2>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	118.8080	0.000	1	118.8080	0.000	1	118.0539	0.478	9	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Cu)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Cu<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Cu)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	116.1340	0.000	1	116.1340	0.000	1	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<5>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	116.1010	0.000	1	117.0875	1.946	2	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	118.0740	0.000	1	117.0875	1.946	2	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.9655	0.648	2	118.0330	0.224	3	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Fe)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.1680	0.000	1	118.0330	0.224	3	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.3793	0.328	3	118.9784	0.761	10	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.4585	0.117	2	118.9784	0.761	10	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.8210	0.000	1	118.9784	0.761	10	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.7695	0.136	2	118.9784	0.761	10	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ir)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.1845	2.320	2	118.9784	0.761	10	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.2170	0.000	1	118.4387	0.235	6	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.6000	0.530	4	118.4387	0.235	6	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pd)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0150	0.000	1	118.4387	0.235	6	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a]){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.6240	0.000	1	118.0370	0.341	2	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Pt)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.4500	0.000	1	118.0370	0.341	2	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.5490	0.000	1	119.5490	0.000	1	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	119.4980	0.000	1	118.8253	1.287	12	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.1852	0.660	4	118.8253	1.287	12	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3277	1.388	6	118.8253	1.287	12	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Ru)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	119.6990	0.000	1	118.8253	1.287	12	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Zn)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Zn)(N[6a]C[6a]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.0300	0.635	2	118.0300	0.403	2	118.5234	1.081	39	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	118.7060	0.000	2	118.7060	0.000	2	119.2374	0.244	5	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]C[3])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	119.7430	0.000	1	119.7430	0.000	1	119.2374	0.244	5	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	119.5160	0.000	2	119.5160	0.000	2	119.2374	0.244	5	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[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])(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	118.5110	0.000	1	118.5110	0.000	1	118.5110	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)(C[6]N[6]H){2|C<3>,2|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]Br)(C[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>}	117.8500	0.000	1	117.8500	0.000	1	117.8500	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	116.3425	0.005	2	116.3425	0.000	2	117.7845	0.861	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.3740	0.000	1	118.3740	0.000	1	117.7845	0.861	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.1550	0.000	1	118.1550	0.000	1	117.7845	0.861	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.0430	0.000	1	118.0430	0.000	1	117.7845	0.861	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.1085	0.265	2	118.1085	0.070	2	117.7845	0.861	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	118.8020	0.000	1	118.8020	0.000	1	117.7845	0.861	8	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|B<4>,1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	119.2225	0.667	2	119.2225	0.445	2	118.3263	0.605	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[5,6]){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	118.3630	0.008	2	118.3630	0.000	2	118.3263	0.605	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6]){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	117.7043	0.456	3	117.7043	0.208	3	118.3263	0.605	7	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(H)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|I<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	120.2960	0.000	1	120.2960	0.000	1	120.2960	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	117.3230	0.000	1	117.3230	0.000	1	116.3000	0.793	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	115.6990	0.000	1	115.7885	0.016	2	116.3000	0.793	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]O[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,4|C<3>}	115.8780	0.000	1	115.7885	0.016	2	116.3000	0.793	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	114.6590	0.000	1	114.6590	0.000	1	114.6590	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	116.7290	0.000	1	116.7290	0.000	1	116.7290	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	115.2900	0.000	1	115.2900	0.000	1	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	115.6325	0.320	2	115.6325	0.103	2	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,4|C<3>}	116.5770	0.000	1	116.5770	0.000	1	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	116.8405	0.193	2	116.8405	0.037	2	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]H)(H){1|O<2>,5|C<3>}	117.0690	0.021	2	117.0690	0.000	2	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H){1|O<2>,1|S<2>,2|N<2>,3|C<3>}	117.2640	0.000	1	117.2640	0.000	1	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H){1|O<2>,5|C<3>}	117.1950	0.000	1	116.7890	0.330	2	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H){1|O<2>,5|C<3>}	116.3830	0.000	1	116.7890	0.330	2	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	117.4510	0.000	1	117.4510	0.000	1	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	114.5960	0.000	1	116.5727	1.116	9	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<3>}	115.7505	0.729	2	116.5727	1.116	9	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	117.0160	0.000	1	116.5727	1.116	9	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,5|C<3>}	117.2082	0.480	5	116.5727	1.116	9	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|O<2>,7|C<3>}	115.0770	0.000	1	115.0770	0.000	1	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	116.0395	0.320	2	116.0395	0.103	2	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	116.8750	0.000	1	116.8750	0.000	1	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.8477	0.492	3	118.5814	0.142	8	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.4216	0.207	5	118.5814	0.142	8	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|O<2>}	118.1640	0.000	1	118.1640	0.000	1	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.6390	0.226	2	118.6330	0.026	3	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<2>}	118.6210	0.000	1	118.6330	0.026	3	117.1660	1.482	37	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	118.1115	0.087	2	118.1115	0.008	2	117.8937	0.146	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,4|C<3>}	117.4580	0.000	1	117.4580	0.000	1	117.8937	0.146	3	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H){1|O<2>,5|C<3>}	116.9570	0.000	1	116.9570	0.000	1	117.7364	0.138	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H){1|O<2>,2|F<1>,3|C<3>}	117.5000	0.000	1	117.5000	0.000	1	117.7364	0.138	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|F<1>,1|O<2>,6|C<3>}	118.4150	0.000	1	117.8492	0.075	9	117.7364	0.138	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	117.7785	0.184	8	117.8492	0.075	9	117.7364	0.138	11	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6]Ru)(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]C[6,6]H){1|Ru<7>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6]Ru)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6])(H){1|Ru<7>,1|N<2>,2|N<3>,4|C<3>}	119.3050	0.000	1	119.3050	0.000	1	119.3050	0.000	1	119.0156	3.655	598	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[5]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6]){1|H<1>,1|N<2>,7|C<3>}	117.4300	0.000	1	117.4300	0.000	1	117.4300	0.000	1	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	118.7940	0.000	1	118.9335	0.039	2	118.9335	0.039	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	119.0730	0.000	1	118.9335	0.039	2	118.9335	0.039	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){2|H<1>,2|O<2>,4|C<3>}	116.0620	0.000	1	116.0620	0.000	1	117.1050	2.176	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.1480	0.000	1	118.1480	0.000	1	117.1050	2.176	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	116.5670	0.000	1	116.5670	0.000	1	116.9657	2.001	7	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,4|H<1>,5|C<3>}	116.7230	0.000	1	116.4116	0.066	5	116.9657	2.001	7	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,5|C<3>}	116.3338	0.219	4	116.4116	0.066	5	116.9657	2.001	7	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	120.1350	0.000	1	120.1350	0.000	1	116.9657	2.001	7	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC){1|H<1>,1|S<2>,4|C<3>}	122.7030	0.503	2	122.7030	0.253	2	122.7030	0.253	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]){1|S<2>,2|O<2>,4|C<3>}	120.4440	0.502	4	120.4440	0.252	4	120.4440	0.252	4	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|S<2>,2|H<1>,4|C<3>}	120.4480	0.000	1	120.4725	0.001	2	120.4725	0.001	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|S<2>,2|H<1>,4|C<3>}	120.4970	0.000	1	120.4725	0.001	2	120.4725	0.001	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	N[5a,6]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(NH){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	124.9770	0.000	1	124.9770	0.000	1	124.9770	0.000	1	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NC)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	121.2590	0.769	2	121.2590	0.592	2	121.2590	0.592	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OH){1|H<1>,1|N<2>,3|C<3>}	121.0815	0.548	2	121.0815	0.300	2	121.0815	0.300	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(NC[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Co<5>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	117.7955	0.265	2	117.7955	0.070	2	118.5288	1.164	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Fe<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	117.6650	0.342	2	117.6650	0.117	2	118.5288	1.164	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(NC[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(NC[5]){1|H<1>,1|N<2>,3|C<3>}	118.2987	0.239	4	118.2987	0.057	4	118.5288	1.164	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	116.0430	0.000	1	116.0430	0.000	1	118.5288	1.164	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	120.5270	0.000	1	119.4716	0.321	7	118.5288	1.164	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.0335	0.047	2	119.4716	0.321	7	118.5288	1.164	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	119.4267	0.374	4	119.4716	0.321	7	118.5288	1.164	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|O<2>,2|H<1>,3|C<3>}	116.3050	0.000	1	116.3050	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){2|C<3>,2|H<1>,2|O<2>}	118.9330	0.000	1	118.9330	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){2|C<3>,2|H<1>,2|O<2>}	118.3870	0.124	2	118.3870	0.015	2	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSi){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.5050	0.000	1	117.5050	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|O<2>,3|C<3>}	118.0750	0.000	1	118.0750	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){1|H<1>,1|O<2>,3|C<3>}	118.5380	0.000	1	118.5380	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCu)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCu){1|H<1>,1|O<2>,3|C<3>}	118.0715	0.651	2	118.0715	0.424	2	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OFe)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OFe){1|H<1>,1|O<2>,3|C<3>}	118.8060	0.000	1	118.8060	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OMn)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OMn){1|H<1>,1|O<2>,3|C<3>}	118.6320	0.000	1	118.6320	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(ONi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(ONi){1|H<1>,1|O<2>,3|C<3>}	118.0860	0.567	3	118.0860	0.321	3	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	120.6610	0.000	1	120.6610	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(ONi)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(ONi){2|O<2>,3|C<3>}	118.0530	0.000	1	118.0530	0.000	1	118.2927	0.831	16	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|H<1>,1|O<2>,4|C<3>}	116.9845	0.295	2	116.9845	0.087	2	116.9845	0.087	2	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:Se-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]Se){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Se<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a]){1|O<2>,2|C<3>,3|H<1>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	118.8007	3.403	63	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	119.5695	0.074	2	119.5695	0.006	2	119.5695	0.006	2	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|C<4>,1|H<1>,1|N<2>,1|P<4>,5|C<3>}	116.3140	0.000	1	115.9927	0.180	3	116.7948	0.635	26	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|C<4>,1|H<1>,1|N<2>,1|P<4>,5|C<3>}	115.8320	0.453	2	115.9927	0.180	3	116.7948	0.635	26	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	116.9507	0.667	18	116.8140	0.592	20	116.7948	0.635	26	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|N<2>,3|H<1>,4|C<3>}	115.5835	0.556	2	116.8140	0.592	20	116.7948	0.635	26	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	118.1470	0.000	1	118.1470	0.000	1	116.7948	0.635	26	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|N<2>,3|H<1>,4|C<3>}	116.7500	0.000	1	116.7500	0.000	1	116.7948	0.635	26	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|Zn<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Zn){1|N<2>,3|H<1>,5|C<3>}	117.5120	0.000	1	117.5120	0.000	1	116.7948	0.635	26	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	117.5840	0.000	1	117.5840	0.000	1	117.5840	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,1|H<1>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,3|H<1>,5|C<3>}	118.3345	0.142	2	118.3317	0.010	3	118.3317	0.010	3	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(O[6]C[5,6]){1|C<4>,2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,2|H<1>,6|C<3>}	118.3260	0.000	1	118.3317	0.010	3	118.3317	0.010	3	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,6|C<3>}	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.1020	0.000	1	117.1020	0.000	1	117.1020	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|O<2>,2|H<1>,4|C<3>}	117.1958	0.660	4	117.1958	0.436	4	118.1390	1.343	8	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.0823	0.570	4	119.0823	0.325	4	118.1390	1.343	8	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|O<2>,2|H<1>,8|C<3>}	119.9940	0.585	2	119.9940	0.343	2	118.4148	1.861	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]P[5]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|P<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]P[5]2){1|O<2>,2|H<1>,8|C<3>}	117.6252	0.702	4	117.6252	0.493	4	118.4148	1.861	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	117.0890	0.000	1	117.1290	0.009	4	117.9115	2.060	12	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|O<2>,2|H<1>,8|C<3>}	117.1423	0.108	3	117.1290	0.009	4	117.9115	2.060	12	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	118.7855	1.592	6	118.3028	2.709	8	117.9115	2.060	12	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,2|O<2>,3|H<1>,6|C<3>}	116.8545	0.838	2	118.3028	2.709	8	117.9115	2.060	12	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	119.8240	0.000	1	120.0590	0.110	2	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	120.2940	0.000	1	120.0590	0.110	2	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	119.2390	0.000	1	118.8870	0.248	2	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	118.5350	0.000	1	118.8870	0.248	2	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	118.5665	0.637	2	118.5665	0.406	2	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	119.1720	0.139	2	119.1720	0.019	2	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	119.2548	0.103	4	119.5042	0.230	25	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|Cl<1>,1|O<2>,2|H<1>,6|C<3>}	118.5860	0.000	1	119.5042	0.230	25	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	120.1280	0.287	4	119.5042	0.230	25	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,1|S<4>,3|H<1>,6|C<3>}	119.2287	0.198	4	119.5042	0.230	25	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	119.6904	0.329	9	119.5042	0.230	25	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	119.1025	0.738	2	119.5042	0.230	25	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	119.1540	0.000	1	119.5042	0.230	25	119.4235	0.295	33	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|O<2>,2|H<1>,4|C<3>}	119.0440	0.890	2	119.0440	0.791	2	119.0440	0.791	2	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	118.1070	0.000	1	117.9375	0.057	2	117.9375	0.057	2	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	117.7680	0.000	1	117.9375	0.057	2	117.9375	0.057	2	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	118.7740	0.000	1	118.7740	0.000	1	118.2645	0.525	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|O<2>,4|C<3>,4|H<1>}	117.7580	0.000	1	117.7630	0.471	3	118.2645	0.525	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	117.0790	0.000	1	117.7630	0.471	3	118.2645	0.525	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|H<1>,5|C<3>}	118.4520	0.000	1	117.7630	0.471	3	118.2645	0.525	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]I){1|O<2>,4|C<3>,5|H<1>}	119.0570	0.000	1	119.0570	0.000	1	118.2645	0.525	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|C<3>,5|H<1>}	118.4670	0.000	1	118.4670	0.000	1	118.2645	0.525	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[5,6])	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[5,6]){1|Si<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](N[5,6]C[5,6a]Si[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|O<2>,3|H<1>,6|C<3>}	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	120.0820	0.000	1	119.9710	0.025	2	119.1409	0.862	8	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	119.8600	0.000	1	119.9710	0.025	2	119.1409	0.862	8	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<2>,2|H<1>,4|C<3>}	119.3897	0.526	4	119.3897	0.277	4	119.1409	0.862	8	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br){1|S<2>,2|O<2>,4|C<3>}	117.8130	0.151	2	117.8130	0.023	2	119.1409	0.862	8	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|S<2>,2|H<1>,2|N<2>,6|C<3>}	117.9180	0.000	1	117.9180	0.000	1	118.7602	1.288	5	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	118.5035	1.090	2	118.5035	1.187	2	118.7602	1.288	5	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2){1|S<2>,2|H<1>,2|O<1>,6|C<3>}	119.4380	1.485	2	119.4380	2.205	2	118.7602	1.288	5	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	119.4305	1.470	2	119.0628	1.334	6	119.0628	1.334	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	119.9750	0.000	1	119.0628	1.334	6	119.0628	1.334	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|S<2>,4|H<1>,6|C<3>}	118.9860	1.078	2	119.0628	1.334	6	119.0628	1.334	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|S<2>,2|C<4>,3|H<1>,6|C<3>}	117.5690	0.000	1	119.0628	1.334	6	119.0628	1.334	6	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Rh)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|Rh<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Rh)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<2>,2|N<3>,4|C<3>,4|H<1>}	119.0570	0.000	1	119.0570	0.000	1	119.0570	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	117.1880	0.000	1	117.1880	0.000	1	117.1880	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]C[6a])(C[6a]O[6a]O){6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,2|H<1>,2|O<2>,6|C<3>}	120.3192	0.260	4	120.3192	0.068	4	120.3192	0.068	4	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	118.1150	0.000	1	118.1150	0.000	1	118.1150	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.9690	0.000	1	118.9690	0.000	1	118.9690	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.0610	0.000	1	118.0610	0.000	1	118.0717	0.347	3	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	117.4880	0.000	1	117.4880	0.000	1	118.0717	0.347	3	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.6660	0.000	1	118.6660	0.000	1	118.0717	0.347	3	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	117.6580	0.000	1	117.5710	0.033	3	117.5710	0.033	3	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	117.5275	0.234	2	117.5710	0.033	3	117.5710	0.033	3	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|O<2>,2|C<3>,3|H<1>}	119.6150	0.000	1	119.6150	0.000	1	118.8051	0.662	7	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	118.4740	0.000	1	118.3823	0.059	3	118.8051	0.662	7	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	118.3365	0.325	2	118.3823	0.059	3	118.8051	0.662	7	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	118.4370	0.000	1	118.4370	0.000	1	118.8051	0.662	7	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){2|O<2>,3|C<3>}	118.1740	0.000	1	118.1740	0.000	1	118.8051	0.662	7	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	120.2630	0.000	1	120.2630	0.000	1	118.8051	0.662	7	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	118.4075	0.562	2	118.4075	0.316	2	118.4240	0.116	4	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	118.4405	0.177	2	118.4405	0.032	2	118.4240	0.116	4	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS){1|O<2>,2|H<1>,3|C<3>}	117.5265	0.298	2	117.5265	0.089	2	117.5265	0.089	2	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.9840	0.000	1	122.9840	0.000	1	122.9840	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Se<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH){1|Se<2>,1|H<1>,3|C<3>}	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){2|O<1>,4|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|N<2>,1|O<1>,3|N<3>}	117.0820	0.000	1	117.0820	0.000	1	117.0820	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	115.9970	0.055	2	115.9970	0.003	2	115.9970	0.003	2	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]P){1|O<2>,4|H<1>,5|C<3>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[5,6]C[6a]){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]B[5,6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]B[5,6]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,7|C<3>}	116.1440	0.396	2	116.1440	0.157	2	116.1440	0.157	2	118.4042	2.002	159	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	118.5360	0.000	1	118.5360	0.000	1	118.5360	0.000	1	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H){1|O<2>,3|H<1>,8|C<3>}	118.9675	1.902	4	118.9675	3.618	4	118.9675	3.618	4	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	118.1095	0.192	2	118.1095	0.037	2	118.1095	0.037	2	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3,6]){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3700	0.000	1	118.3700	0.000	1	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	118.5563	0.180	3	118.4072	0.058	5	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.1600	0.000	1	118.4072	0.058	5	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	118.2070	0.000	1	118.4072	0.058	5	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	118.1820	0.000	1	118.1820	0.000	1	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	117.8680	0.000	1	117.9880	0.013	5	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	118.0255	0.040	2	117.9880	0.013	5	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	118.1390	0.000	1	117.9880	0.013	5	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	117.8820	0.000	1	117.9880	0.013	5	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3){2|H<1>,2|O<2>,4|C<3>}	118.1460	0.000	1	118.1460	0.000	1	118.2057	0.063	13	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3){1|H<1>,2|O<2>,3|C<3>}	119.9505	0.201	4	119.9505	0.040	4	120.3293	0.517	6	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Si<6>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6,6]){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>,3|O<2>}	121.0870	0.863	2	121.0870	0.744	2	120.3293	0.517	6	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	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])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.1660	0.048	4	119.1660	0.002	4	119.3910	0.207	14	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.4810	0.516	10	119.4810	0.267	10	119.3910	0.207	14	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]Rh)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	118.2750	0.000	1	118.2750	0.000	1	118.2750	0.000	1	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	117.7280	0.000	1	117.7280	0.000	1	118.3715	0.828	2	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	119.0150	0.000	1	119.0150	0.000	1	118.3715	0.828	2	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C){1|C<4>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.1490	0.000	1	121.1490	0.000	1	120.9110	0.113	2	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH)	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	120.6730	0.000	1	120.6730	0.000	1	120.9110	0.113	2	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|O<2>,2|H<1>,7|C<3>}	116.8573	2.129	3	116.8573	4.531	3	116.6928	3.129	4	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HO){1|O<2>,2|H<1>,7|C<3>}	116.1990	0.000	1	116.1990	0.000	1	116.6928	3.129	4	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]CH){1|S<2>,2|H<1>,7|C<3>}	118.0035	0.045	2	118.0035	0.002	2	117.6240	0.433	3	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(C[6]C[6]2){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	116.8650	0.000	1	116.8650	0.000	1	117.6240	0.433	3	118.7782	1.838	55	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[4,6]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.8310	0.000	1	120.8310	0.000	1	120.8310	0.000	1	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	119.0360	0.042	2	119.0360	0.002	2	119.0360	0.002	2	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){1|O<2>,3|H<1>,4|C<3>}	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.4745	0.077	2	120.4745	0.006	2	120.4745	0.006	2	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.4848	1.065	4	121.1376	0.358	17	121.1376	0.358	17	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[4,6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.0308	0.376	13	121.1376	0.358	17	121.1376	0.358	17	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	115.6070	0.000	1	115.6070	0.000	1	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.9485	0.330	2	120.9485	0.109	2	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.4020	0.000	1	120.1217	0.242	4	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	119.7065	0.018	2	120.1217	0.242	4	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.6720	0.000	1	120.1217	0.242	4	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O){1|O<2>,2|H<1>,4|C<3>}	119.7380	0.000	1	119.7380	0.000	1	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){2|N<3>,2|O<2>,3|H<1>,5|C<3>}	119.9060	0.000	1	120.3160	0.310	7	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	120.5596	0.431	5	120.3160	0.310	7	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	119.5080	0.000	1	120.3160	0.310	7	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	120.3750	0.000	1	120.3750	0.000	1	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	119.9880	0.000	1	120.0194	0.063	7	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	119.8865	0.026	2	120.0194	0.063	7	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	120.2060	0.291	3	120.0194	0.063	7	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]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]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	119.7570	0.000	1	120.0194	0.063	7	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	119.7268	0.695	6	119.7268	0.484	6	119.9591	0.999	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	119.6970	0.000	1	119.6970	0.000	1	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.0800	0.000	1	120.0800	0.000	1	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]F)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.4730	0.000	1	119.4730	0.000	1	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.2310	0.410	2	120.2814	0.124	12	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.2930	0.230	5	120.2814	0.124	12	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.8800	0.000	1	120.2814	0.124	12	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.1650	0.516	3	120.2814	0.124	12	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.0750	0.000	1	120.2814	0.124	12	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.8090	0.000	1	120.5657	0.100	6	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.4940	0.427	3	120.5657	0.100	6	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.5515	0.245	2	120.5657	0.100	6	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	119.7620	0.000	1	119.7620	0.000	1	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	119.5560	0.000	1	119.5560	0.000	1	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	121.2850	0.000	1	121.2850	0.000	1	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	120.7087	0.329	3	120.6285	0.098	4	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	120.3880	0.000	1	120.6285	0.098	4	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O){1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|O<2>,2|O<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	120.3240	0.000	1	120.3240	0.000	1	120.3263	0.211	29	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<2>,1|S<2>,5|C<3>,5|H<1>}	124.3880	0.000	1	124.3880	0.000	1	124.3880	0.000	1	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.5012	0.151	4	118.5012	0.023	4	118.5012	0.023	4	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	120.0210	0.000	1	120.0210	0.000	1	119.7240	0.176	2	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){1|H<1>,1|N<2>,1|S<2>,6|C<3>}	119.4270	0.000	1	119.4270	0.000	1	119.7240	0.176	2	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H){1|H<1>,2|O<2>,3|C<3>}	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	120.6450	0.000	1	120.6450	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.5365	0.793	2	117.5365	0.628	2	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	119.5670	0.000	1	119.5670	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){2|H<1>,2|O<2>,4|C<3>}	120.5900	0.000	1	120.5900	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	120.2390	0.000	1	120.2390	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6447	0.449	3	118.9377	0.478	4	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8170	0.000	1	118.9377	0.478	4	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	120.6090	0.000	1	120.6090	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4020	0.000	1	119.9665	0.379	2	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.5310	0.000	1	119.9665	0.379	2	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|O<2>,2|C<3>,3|H<1>}	120.2120	0.000	1	120.2120	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	120.9910	0.044	2	120.8633	0.380	9	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7100	0.000	1	120.8633	0.380	9	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>,2|O<2>}	120.0345	0.373	2	120.8633	0.380	9	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	120.8180	0.085	2	120.8633	0.380	9	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|H<1>,3|C<3>}	121.6865	0.320	2	120.8633	0.380	9	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|O<2>,2|H<1>,3|C<3>}	120.6640	0.000	1	120.6640	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	120.2400	0.000	1	120.0559	0.187	7	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	120.1053	0.047	3	120.0559	0.187	7	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	120.2720	0.000	1	120.0559	0.187	7	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|H<1>,3|C<3>}	120.4450	0.000	1	120.0559	0.187	7	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1180	0.000	1	120.0559	0.187	7	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|O<2>,2|C<3>,3|H<1>}	120.7030	0.000	1	120.3580	0.238	2	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|O<2>,2|C<3>,3|H<1>}	120.0130	0.000	1	120.3580	0.238	2	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|O<2>,2|C<3>,3|H<1>}	119.7560	0.000	1	119.7560	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9960	0.000	1	119.9960	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8590	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	120.0240	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7680	0.389	2	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	119.7130	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|H<1>}	120.2405	0.054	2	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.7450	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1147	0.006	3	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	120.1942	0.206	4	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.4800	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.7580	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	120.4410	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.5640	0.000	1	119.9854	0.087	19	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,3|H<1>}	119.9570	0.000	1	119.9570	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	120.4040	0.000	1	120.3767	0.079	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3340	0.000	1	120.3767	0.079	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4747	0.217	3	120.3767	0.079	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|H<1>,3|C<3>}	120.4150	0.308	6	120.3767	0.079	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	119.8680	0.000	1	120.3767	0.079	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|O<2>,2|H<1>,5|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	120.7800	0.289	3	120.7145	0.073	4	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	120.5180	0.000	1	120.7145	0.073	4	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.4550	0.000	1	120.4550	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){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]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|O<2>,3|H<1>,4|C<3>}	120.8120	0.000	1	120.3153	0.320	3	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.0670	0.519	2	120.3153	0.320	3	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O){1|C<4>,2|C<3>,3|O<2>}	118.1760	0.000	1	118.1760	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	120.6265	0.004	2	120.4050	0.106	4	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	120.1835	0.347	2	120.4050	0.106	4	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	120.6890	0.000	1	120.6890	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,2|C<3>,3|O<2>}	119.6380	0.000	1	119.6380	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	120.0160	0.000	1	120.2654	0.492	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	119.7230	1.121	2	120.2654	0.492	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	119.0340	0.000	1	120.2654	0.492	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	120.8482	0.237	4	120.2654	0.492	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	120.2020	0.369	3	120.2654	0.492	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	120.6900	0.000	1	120.2654	0.492	12	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	120.2551	0.581	7	120.2551	0.338	7	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	117.6850	0.000	1	117.6850	0.000	1	120.1338	0.564	103	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){1|S<2>,3|H<1>,4|C<3>}	123.8990	0.000	1	123.8990	0.000	1	123.3445	0.615	2	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	122.7900	0.000	1	122.7900	0.000	1	123.3445	0.615	2	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[4x6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,6|C<3>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	117.9585	0.317	4	117.9585	0.101	4	117.9620	0.075	5	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	117.9760	0.000	1	117.9760	0.000	1	117.9620	0.075	5	120.1588	1.008	202	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[3]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	119.5772	0.111	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6]){1|O<2>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	119.1745	0.436	2	119.1745	0.190	2	119.1745	0.190	2	119.5772	0.111	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[3]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]S[6]){1|C<4>,1|N<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6]){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	119.9110	0.010	2	119.9110	0.000	2	119.9110	0.000	2	119.5772	0.111	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|O<2>,2|H<1>,3|C<3>}	119.5640	0.194	3	119.5640	0.038	3	119.5463	0.026	4	119.5772	0.111	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.4930	0.000	1	119.4930	0.000	1	119.5463	0.026	4	119.5772	0.111	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	118.9076	3.337	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.6350	0.000	1	117.6350	0.000	1	117.4685	0.055	2	118.9076	3.337	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	117.3020	0.000	1	117.3020	0.000	1	117.4685	0.055	2	118.9076	3.337	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCC){1|S<2>,3|H<1>,5|C<3>}	116.8980	0.000	1	116.8980	0.000	1	119.4862	2.990	5	118.9076	3.337	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|S<2>,2|C<3>,3|H<1>}	120.1333	1.093	4	120.1333	1.196	4	119.4862	2.990	5	118.9076	3.337	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C){1|O<1>,2|S<2>,3|C<3>,5|H<1>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	118.9076	3.337	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.7747	0.672	3	119.7747	0.452	3	119.7747	0.452	3	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[3,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[4x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	120.8590	0.000	1	120.8590	0.000	1	120.8590	0.000	1	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	120.6690	0.000	1	120.6690	0.000	1	120.6690	0.000	1	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	120.7265	0.585	2	120.5933	0.099	7	120.5933	0.099	7	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	120.5400	0.224	5	120.5933	0.099	7	120.5933	0.099	7	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.3955	0.552	2	120.3955	0.305	2	120.0307	0.552	3	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){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]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	119.3010	0.000	1	119.3010	0.000	1	120.0307	0.552	3	120.3236	0.316	16	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:2:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]Pd)(C[6]C[6,6]N)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NPdO)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6a]C[6a]Pd)(C[6]C[6,6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|Pd<4>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NPdO){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H)	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|C<2>,2|C<3>,2|H<1>,2|S<2>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H){1|H<1>,1|S<2>,3|C<3>}	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,4|C<3>}	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|O<2>,2|C<4>,3|C<3>}	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-2:Br-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Br){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br){1|C<4>,1|H<1>,3|C<3>}	116.3010	0.000	1	116.3010	0.000	1	116.3010	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,2|H<1>,3|C<3>}	122.3850	0.000	1	122.3850	0.000	1	121.2175	0.723	4	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|O<2>,4|C<3>}	120.6995	0.503	2	120.8283	0.176	3	121.2175	0.723	4	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|O<2>,2|C<4>,3|C<3>}	121.0860	0.000	1	120.8283	0.176	3	121.2175	0.723	4	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	120.0390	0.000	1	120.0390	0.000	1	120.0390	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	117.8200	0.000	1	117.8820	0.008	2	117.8820	0.008	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	117.9440	0.000	1	117.8820	0.008	2	117.8820	0.008	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|H<1>,1|O<1>,3|C<3>}	116.4985	0.647	2	116.4985	0.419	2	116.4985	0.419	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	116.5030	0.000	1	116.5030	0.000	1	118.7202	2.801	4	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|S<4>,3|C<3>}	120.4040	0.000	1	120.4040	0.000	1	118.7202	2.801	4	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	118.4830	0.000	1	118.4830	0.000	1	118.7202	2.801	4	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N){1|C<2>,1|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	119.4910	0.000	1	119.4910	0.000	1	118.7202	2.801	4	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Re<6>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Re<6>,1|H<1>,3|C<3>}	115.2660	1.252	2	116.1256	0.766	8	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<5>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Ru<5>,1|H<1>,3|C<3>}	116.1160	0.113	2	116.1256	0.766	8	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Ru<6>,1|H<1>,3|C<3>}	116.1935	0.883	2	116.1256	0.766	8	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|Zn<4>,1|H<1>,3|C<3>}	116.9270	0.478	2	116.1256	0.766	8	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Ir){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	116.9710	0.560	2	116.9710	0.314	2	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){2|H<1>,3|C<3>}	117.9453	0.232	13	118.0261	0.089	16	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){2|H<1>,3|C<3>}	118.3760	0.341	3	118.0261	0.089	16	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Rh<6>,1|C<3>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Rh){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	116.6307	0.622	3	116.6307	0.387	3	117.2847	1.028	29	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|H<1>,4|C<3>}	117.3110	0.000	1	117.3110	0.000	1	117.3110	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	120.8070	0.000	1	120.7101	0.079	7	120.7101	0.079	7	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	120.4010	0.000	1	120.7101	0.079	7	120.7101	0.079	7	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|H<1>,4|C<3>}	120.2570	0.000	1	120.7101	0.079	7	120.7101	0.079	7	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	120.8765	0.129	4	120.7101	0.079	7	120.7101	0.079	7	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|C<4>,1|H<1>,3|C<3>}	119.5003	0.213	6	119.5876	0.193	17	119.5876	0.193	17	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(S){1|H<1>,4|C<3>}	119.6353	0.528	11	119.5876	0.193	17	119.5876	0.193	17	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,4|C<3>}	122.0380	0.000	1	122.0380	0.000	1	122.0380	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.4380	0.000	3	118.4380	0.000	3	118.4380	0.000	3	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.5090	0.119	2	117.5090	0.014	2	117.5090	0.014	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:S[6]-2:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.6600	0.000	1	120.6600	0.000	1	121.1770	0.535	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.6940	0.000	1	121.6940	0.000	1	121.1770	0.535	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,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]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3480	0.000	1	120.5580	0.088	2	120.5580	0.088	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,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]H){1|C<3>,1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7680	0.000	1	120.5580	0.088	2	120.5580	0.088	2	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]O[6]O)	C[6,6a](C[6a]C[6a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]O[6]O){1|Ni<4>,6|C<3>}	C[6,6a](C[6a]C[6a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|N<3>,4|C<3>}	116.3390	0.000	1	116.3390	0.000	1	116.3390	0.000	1	118.7733	3.143	84	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC[6a]){1|Ir<6>,1|H<1>,3|C<3>}	116.2617	0.525	3	116.2617	0.276	3	116.2665	0.184	4	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H){1|Ru<6>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC){1|Ru<6>,1|H<1>,3|C<3>}	116.2810	0.000	1	116.2810	0.000	1	116.2665	0.184	4	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,1|H<1>,3|C<3>}	118.4210	0.000	1	118.5750	0.047	2	118.5750	0.047	2	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	118.7290	0.000	1	118.5750	0.047	2	118.5750	0.047	2	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC){1|H<1>,4|C<3>}	119.4960	0.000	1	119.4960	0.000	1	119.0373	0.423	6	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	119.4640	0.000	1	119.4640	0.000	1	119.0373	0.423	6	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|H<1>,4|C<3>}	118.4450	0.000	1	118.4450	0.000	1	119.0373	0.423	6	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,1|H<1>,3|C<3>}	118.4320	0.000	1	118.4670	0.002	2	119.0373	0.423	6	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|H<1>,4|C<3>}	118.5020	0.000	1	118.4670	0.002	2	119.0373	0.423	6	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|I<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NC[6a]){1|H<1>,4|C<3>}	119.8850	0.000	1	119.8850	0.000	1	119.0373	0.423	6	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]In)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|In<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]In){1|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){2|H<1>,3|C<3>}	117.8010	0.000	1	117.8010	0.000	1	117.8010	0.000	1	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	116.7630	0.000	1	116.7630	0.000	1	117.2505	0.475	2	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|N<3>,2|C<3>,2|H<1>}	117.7380	0.000	1	117.7380	0.000	1	117.2505	0.475	2	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ir<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	116.4375	0.520	2	116.4375	0.270	2	116.4375	0.270	2	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	118.9550	0.038	3	118.9550	0.001	3	118.9550	0.001	3	117.9241	1.646	20	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H){1|B<4>,1|H<1>,3|C<3>}	116.7620	0.000	1	116.7620	0.000	1	116.7620	0.000	1	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CCH){1|H<1>,4|C<3>}	123.3720	0.000	1	123.3720	0.000	1	123.3720	0.000	1	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){2|H<1>,3|C<3>}	117.8450	0.405	3	117.4590	0.705	4	117.4590	0.705	4	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(NHN){1|Ni<6>,1|H<1>,3|C<3>}	116.3010	0.000	1	117.4590	0.705	4	117.4590	0.705	4	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHN){1|H<1>,4|C<3>}	118.9590	0.000	1	118.9590	0.000	1	118.2340	1.051	2	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CPP){1|H<1>,4|C<3>}	117.5090	0.000	1	117.5090	0.000	1	118.2340	1.051	2	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:O[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|I<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH){1|H<1>,4|C<3>}	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH){1|H<1>,2|C<3>,2|N<3>}	117.6030	0.000	1	117.6030	0.000	1	116.6983	0.224	10	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	116.5978	0.372	9	116.5978	0.139	9	116.6983	0.224	10	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<3>,3|C<3>}	121.7360	0.000	1	121.7360	0.000	1	122.2155	0.460	2	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.6950	0.000	1	122.6950	0.000	1	122.2155	0.460	2	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-2:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[6])(CCH){5|C<3>}	118.5605	0.896	2	118.5605	0.803	2	118.5605	0.803	2	117.9605	4.146	23	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3){1|H<1>,2|C<3>,2|N<3>}	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6,6a]C[6])(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9200	0.000	1	117.9200	0.000	1	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.7975	0.436	6	117.9333	0.566	14	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.7655	0.023	2	117.9333	0.566	14	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.1965	0.400	4	117.9333	0.566	14	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.9820	0.236	2	117.9333	0.566	14	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6127	1.077	17	117.6127	1.160	17	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3220	0.000	1	117.6488	0.476	6	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.8825	1.129	2	117.6488	0.476	6	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.4260	0.000	1	117.6488	0.476	6	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.1900	0.267	2	117.6488	0.476	6	117.7446	0.789	38	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){2|O<2>,5|C<3>}	120.3575	0.459	2	120.3575	0.211	2	120.3575	0.211	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	120.9460	0.642	2	120.9460	0.412	2	120.9460	0.412	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	119.3970	0.000	1	119.3970	0.000	1	118.7487	1.373	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	118.6190	1.261	5	118.6190	1.590	5	118.7487	1.373	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|C<2>,2|C<3>,2|H<1>,2|S<2>}	C[6,6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6,6a]C[5a,6a]C[6])(C[6]C[6]H){1|H<1>,2|S<2>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|S<2>,3|C<3>}	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cd){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.5830	0.000	1	117.8635	1.035	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.1440	0.000	1	117.8635	1.035	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.8210	0.000	1	117.7465	0.011	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.6720	0.000	1	117.7465	0.011	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.6170	0.223	3	118.4087	0.217	12	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.6303	0.406	3	118.4087	0.217	12	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.4525	0.199	2	118.4087	0.217	12	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.8330	0.687	2	118.4087	0.217	12	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.2960	0.690	2	118.4087	0.217	12	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.1197	0.512	12	118.1622	0.225	30	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3056	0.396	9	118.1622	0.225	30	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.0754	0.515	9	118.1622	0.225	30	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Hg)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Hg){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.8360	0.000	1	117.7530	1.682	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Hg)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Hg){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.6700	0.000	1	117.7530	1.682	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.0985	0.566	2	117.9169	0.739	10	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9854	1.011	5	117.9169	0.739	10	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.3483	0.401	3	117.9169	0.739	10	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Mn){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0574	0.409	5	118.1706	0.118	10	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Mn){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.2838	0.258	5	118.1706	0.118	10	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.5080	0.361	2	117.7795	0.189	4	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.0510	0.376	2	117.7795	0.189	4	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.0310	0.000	1	117.6235	0.702	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.2160	0.000	1	117.6235	0.702	2	118.1045	0.325	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){7|C<3>}	118.8655	1.398	2	118.8655	1.954	2	120.1306	2.913	17	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	118.8166	0.471	8	120.2993	2.930	15	120.1306	2.913	17	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	121.0890	0.000	1	120.2993	2.930	15	120.1306	2.913	17	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	122.1445	0.408	6	120.2993	2.930	15	120.1306	2.913	17	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.5850	0.000	1	120.5850	0.000	1	120.5850	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.5880	0.000	1	118.5880	0.000	1	119.3545	1.175	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<2>,1|N<3>,4|C<3>}	120.1210	0.000	1	120.1210	0.000	1	119.3545	1.175	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.6580	0.614	2	118.4107	0.372	3	118.4107	0.372	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.9160	0.000	1	118.4107	0.372	3	118.4107	0.372	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O){1|C<4>,5|C<3>}	120.2550	0.772	5	120.2550	0.597	5	120.2550	0.597	5	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[5,6a]C[5,6a]C[5])(C[6]C[6]H){1|Pt<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]Pt){2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.7653	1.209	3	115.7653	1.462	3	115.7653	1.462	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.6640	0.000	1	118.7923	0.287	3	118.7923	0.287	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.3810	0.000	1	118.7923	0.287	3	118.7923	0.287	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[5,6a]C[5,6a]N[5])(C[6]C[6]H){1|S<4>,2|C<3>,2|N<2>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.3320	0.000	1	118.7923	0.287	3	118.7923	0.287	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	117.9190	0.000	1	118.3113	0.079	4	118.3113	0.079	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	118.4420	0.126	3	118.3113	0.079	4	118.3113	0.079	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.6720	0.133	2	116.6720	0.018	2	116.7755	1.868	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.8285	0.202	2	115.8285	0.041	2	116.7755	1.868	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	117.8260	2.294	2	117.8260	5.262	2	116.7755	1.868	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|C<4>,1|O<2>,5|C<3>}	116.8940	0.062	2	116.8940	0.004	2	118.5288	2.187	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	119.3462	0.985	4	119.3462	0.971	4	118.5288	2.187	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.6960	0.000	1	120.6960	0.000	1	117.3621	2.297	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	115.6320	0.000	1	115.6320	0.000	1	117.3621	2.297	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>}	117.3923	0.388	4	117.3923	0.150	4	117.3621	2.297	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	116.3820	0.000	1	116.5000	0.028	2	117.3621	2.297	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	116.6180	0.000	1	116.5000	0.028	2	117.3621	2.297	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.8870	0.042	2	118.1930	1.446	3	118.4733	1.839	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.8050	0.000	1	118.1930	1.446	3	118.4733	1.839	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	117.2950	0.115	2	117.2950	0.013	2	118.4733	1.839	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.0720	0.083	2	120.0720	0.007	2	118.4733	1.839	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.1735	0.924	2	120.1735	0.854	2	120.1735	0.854	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,5|C<3>}	121.8740	0.000	1	121.8740	0.000	1	123.5808	0.541	9	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	123.9235	0.344	2	123.9235	0.119	2	123.5808	0.541	9	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	123.5343	0.322	4	123.7510	0.178	6	123.5808	0.541	9	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	124.1845	0.120	2	123.7510	0.178	6	123.5808	0.541	9	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	118.7230	1.711	2	118.7230	2.928	2	120.2991	0.937	20	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	120.5190	0.000	1	120.5190	0.000	1	120.2991	0.937	20	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.1243	0.561	8	120.4715	0.585	17	120.2991	0.937	20	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.8242	0.312	6	120.4715	0.585	17	120.2991	0.937	20	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<5>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.7040	0.000	1	120.4715	0.585	17	120.2991	0.937	20	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<6>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.1865	0.032	2	120.4715	0.585	17	120.2991	0.937	20	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	122.0106	0.544	5	122.0106	0.296	5	122.0106	0.296	5	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[3x6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[3x6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	121.0370	0.000	1	121.0370	0.000	1	121.0370	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	123.0630	0.199	2	123.0630	0.040	2	121.6997	1.189	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.0045	0.310	2	121.0045	0.096	2	121.6997	1.189	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	121.0315	0.482	2	121.0315	0.232	2	121.6997	1.189	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O){1|Pt<4>,1|H<1>,5|C<3>}	121.7970	0.000	1	121.7970	0.000	1	121.7970	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	120.8160	0.000	1	121.4530	0.322	3	121.2123	0.306	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	121.6390	0.000	1	121.4530	0.322	3	121.2123	0.306	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	121.9040	0.000	1	121.4530	0.322	3	121.2123	0.306	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.4330	0.000	1	121.2535	0.064	2	121.2123	0.306	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	121.0740	0.000	1	121.2535	0.064	2	121.2123	0.306	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	120.4080	0.000	1	120.4080	0.000	1	121.2123	0.306	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]Mn)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]Mn){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	116.9770	0.655	2	116.9770	0.429	2	116.9770	0.429	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	120.9230	0.256	3	120.9352	0.111	5	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|H<1>,4|C<3>}	120.9535	0.558	2	120.9352	0.111	5	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	121.6440	0.000	1	121.7250	0.312	13	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.6653	0.588	8	121.7250	0.312	13	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	121.5020	0.000	1	121.7250	0.312	13	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,5|C<3>}	121.6420	0.578	2	121.7250	0.312	13	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	122.6730	0.000	1	121.7250	0.312	13	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	121.5703	0.618	4	121.5703	0.381	4	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.6967	0.282	8	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.6460	0.000	1	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	121.4862	0.335	8	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.7483	0.600	3	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	122.2810	0.182	5	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<2>,4|C<3>}	122.2510	0.000	1	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	121.2265	0.070	2	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	121.6462	0.546	5	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	121.5470	0.000	1	121.9777	0.378	34	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	121.7586	0.991	5	121.7586	0.982	5	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	120.7920	0.272	2	120.7920	0.074	2	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	121.9753	0.376	3	121.9753	0.141	3	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	121.5940	0.000	1	121.5940	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	121.9070	0.000	1	121.9070	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	121.6880	0.000	1	121.6880	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	121.2570	0.000	1	121.2570	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	121.3550	0.000	1	121.3550	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	121.8080	0.000	1	121.8080	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	122.2200	0.000	1	122.2200	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	121.4200	0.000	1	121.4200	0.000	1	121.7591	0.412	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	118.1738	0.503	9	118.1738	0.254	9	118.1738	0.254	9	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.2925	0.653	2	121.2925	0.426	2	121.2925	0.426	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[3,4]C[4,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[3,4]C[4,6])(O){1|H<1>,3|C<3>,3|C<4>}	121.9240	0.261	4	121.9240	0.068	4	121.9240	0.068	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|H<1>,7|C<3>}	120.9310	0.000	1	120.9310	0.000	1	120.3300	0.722	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.7290	0.000	1	119.7290	0.000	1	120.3300	0.722	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,5|C<3>}	120.6760	0.000	1	120.6760	0.000	1	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	121.6190	0.000	1	121.6190	0.000	1	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	120.4595	0.040	2	120.4595	0.002	2	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,5|C<3>}	120.9200	0.000	1	120.7610	0.051	2	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,6|C<3>}	120.6020	0.000	1	120.7610	0.051	2	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.8960	0.000	1	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	120.3690	0.366	2	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.1183	0.123	3	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	120.6030	1.536	8	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	120.5380	0.000	1	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.2480	0.000	1	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.9800	0.000	1	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	121.2410	0.000	1	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	122.6960	0.000	1	120.8693	1.204	19	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	121.8500	0.000	1	121.8500	0.000	1	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,2|S<2>,3|C<3>}	121.8450	0.000	1	122.0611	0.685	20	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	121.1860	0.000	1	122.0611	0.685	20	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	122.1000	0.631	2	122.0611	0.685	20	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.7130	0.000	1	122.0611	0.685	20	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	121.1900	0.245	2	122.0611	0.685	20	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	121.9978	0.375	12	122.0611	0.685	20	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|N<3>,2|H<1>,4|C<3>}	124.9250	0.000	1	122.0611	0.685	20	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	120.6207	0.360	3	120.6207	0.130	3	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.0960	0.000	1	121.4981	0.378	10	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,4|C<3>}	120.7500	0.000	1	121.4981	0.378	10	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	121.5169	0.595	8	121.4981	0.378	10	121.3757	0.995	59	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	122.1575	0.111	2	121.7515	0.341	4	121.7515	0.341	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	121.7650	0.000	1	121.7515	0.341	4	121.7515	0.341	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.9260	0.000	1	121.7515	0.341	4	121.7515	0.341	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){2|C<4>,2|H<1>,4|C<3>}	119.6030	0.000	1	120.6962	0.721	4	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.8500	0.000	1	120.6962	0.721	4	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<2>,5|C<3>}	121.6680	0.000	1	120.6962	0.721	4	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	120.6640	0.000	1	120.6962	0.721	4	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.9110	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	119.9820	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	120.2885	0.084	2	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.7190	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	120.5362	0.560	5	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	120.4760	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.3723	0.319	9	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.7270	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.0420	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	120.6658	0.120	4	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	121.2800	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,1|V<7>,4|C<3>}	121.3410	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|W<10>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.7910	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	120.9570	0.560	2	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.8210	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	120.0520	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	121.6890	0.000	1	120.5593	0.293	34	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	120.7220	0.000	2	120.7220	0.000	2	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<3>,4|C<3>}	119.9040	0.000	1	119.9051	0.078	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	119.9908	0.248	5	119.9051	0.078	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<2>,5|C<3>}	119.4780	0.000	1	119.9051	0.078	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	120.5632	0.300	5	120.5119	0.143	16	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	120.4885	0.420	11	120.5119	0.143	16	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O){1|H<1>,1|S<2>,4|C<3>}	120.6390	0.537	2	120.6390	0.289	2	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	119.7000	0.147	2	120.1722	0.328	6	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	120.3525	0.887	2	120.1722	0.328	6	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.7390	0.000	1	120.1722	0.328	6	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	120.1890	0.000	1	120.1722	0.328	6	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	119.4310	0.000	1	119.4310	0.000	1	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	117.7440	0.000	1	117.7440	0.000	1	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	121.4600	1.544	2	121.4600	2.385	2	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.9005	0.250	2	119.9430	1.419	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	118.3170	0.000	1	119.9430	1.419	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|Cl<1>,1|C<4>,1|H<1>,2|O<2>,3|C<3>}	121.0380	0.000	1	119.9430	1.419	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,3|O<2>,4|C<3>}	120.6480	0.000	1	119.9430	1.419	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	118.8985	0.310	2	119.9430	1.419	7	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|O<2>,2|C<4>,3|C<3>}	119.8300	0.000	1	119.8300	0.000	1	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.8150	0.044	2	119.8150	0.002	2	120.3793	0.520	85	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	116.7130	0.000	1	114.7985	7.331	2	116.3630	11.008	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	112.8840	0.000	1	114.7985	7.331	2	116.3630	11.008	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(H){2|H<1>,5|C<3>}	119.4920	0.000	1	119.4920	0.000	1	116.3630	11.008	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	119.2795	0.411	2	119.2795	0.169	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	119.6060	0.390	2	118.9513	0.341	7	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	118.6894	0.416	5	118.9513	0.341	7	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Br<1>,1|H<1>,5|C<3>}	118.4820	0.000	1	118.4820	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	118.3890	0.182	2	118.3890	0.033	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.2070	0.000	1	119.6943	0.541	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	119.8713	0.468	3	119.6943	0.541	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	119.4856	0.911	5	119.6943	0.541	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.0860	0.000	1	119.6700	0.160	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|C<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	119.8900	0.000	1	119.6700	0.160	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,5|C<3>}	119.5190	0.000	1	119.6700	0.160	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	119.1850	0.000	1	119.6700	0.160	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	118.7640	0.000	1	118.7640	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|N<3>,5|C<3>}	118.8213	0.346	3	118.8213	0.120	3	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	119.5550	0.000	1	119.5550	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.0910	0.449	6	120.6927	0.317	26	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.5733	0.547	20	120.6927	0.317	26	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.8670	0.126	4	119.9641	0.066	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.0418	0.323	5	119.9641	0.066	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.5630	0.177	2	119.5630	0.031	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.5413	0.299	3	120.8281	0.148	7	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.0433	0.303	4	120.8281	0.148	7	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	121.1125	0.681	2	121.4440	0.326	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.7190	0.000	1	121.4440	0.326	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.0010	0.000	1	121.4440	0.326	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	122.3950	0.000	1	121.4440	0.326	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.8520	0.000	1	121.4440	0.326	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	121.2695	0.701	2	121.4440	0.326	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.2650	0.000	1	121.4440	0.326	9	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	122.0710	0.000	1	122.0710	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	120.9675	0.469	14	120.9675	0.220	14	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	121.2415	0.804	2	121.2415	0.646	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	121.4845	0.240	2	121.2107	0.124	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	120.9370	0.119	2	121.2107	0.124	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	119.0355	0.375	2	119.0355	0.141	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O){1|H<1>,2|S<2>,3|C<3>}	120.2730	0.440	2	120.2730	0.193	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.0520	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	121.3810	0.066	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.2278	0.394	4	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.6710	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.6980	0.489	5	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.8315	0.261	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.8025	0.340	4	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.0790	0.315	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.2173	0.572	4	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.2720	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.3960	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	122.3890	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.5300	0.027	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.7559	0.894	18	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.3345	0.124	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.9550	0.153	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.6549	0.558	22	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.1270	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.5637	0.157	3	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.3450	0.361	3	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.3975	0.666	4	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.6540	0.396	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.9653	0.615	3	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.9421	0.470	18	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.2955	0.586	22	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	120.8775	0.357	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.3220	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Br<1>,1|H<1>,5|C<3>}	120.7460	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	121.3235	0.728	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,5|C<3>}	120.4880	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	121.6250	0.455	3	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	121.7130	0.000	1	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.0612	0.622	23	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.8431	0.760	55	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	121.0750	0.205	2	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	120.8067	0.458	3	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.6651	0.761	10	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	121.0450	0.407	3	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.8424	0.478	145	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.5850	0.185	3	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.1424	0.726	8	120.8838	0.369	393	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	121.6990	0.000	1	121.6990	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.4543	0.316	3	121.0721	0.602	25	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	122.0970	0.000	1	121.0721	0.602	25	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.8777	0.843	4	121.0721	0.602	25	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.9111	0.660	14	121.0721	0.602	25	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	121.8920	0.000	1	121.0721	0.602	25	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.5925	0.407	2	121.0721	0.602	25	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.9255	0.380	2	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.6680	0.000	1	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.3350	0.000	1	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.3525	0.446	2	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.2480	0.436	10	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<7>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	117.8830	0.000	1	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.4372	1.266	5	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.5255	0.111	2	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.8335	0.846	4	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.7120	1.100	2	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.3029	0.758	29	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.6407	0.849	3	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.4433	0.522	4	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.6640	0.000	1	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.6580	0.000	1	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.4455	0.194	2	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.0380	0.000	1	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.7280	0.000	1	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.5084	0.515	10	120.5300	0.700	82	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.0550	0.000	1	119.8067	1.170	3	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	119.1825	0.057	2	119.8067	1.170	3	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.2450	0.269	2	121.0872	0.700	12	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	120.9387	1.097	7	121.0872	0.700	12	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.3283	0.140	3	121.0872	0.700	12	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	122.5250	0.000	1	121.4108	0.457	5	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.1322	0.303	4	121.4108	0.457	5	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	122.1820	0.000	1	122.1820	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.4140	0.000	1	120.4140	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|N<3>,5|C<3>}	122.1887	0.099	3	122.1887	0.010	3	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	118.8740	0.000	1	119.5935	0.515	23	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|N<3>,5|C<3>}	120.2850	0.000	1	119.5935	0.515	23	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<2>,5|C<3>}	119.9695	0.186	2	119.5935	0.515	23	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	119.4645	0.900	11	119.5935	0.515	23	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|N<3>,5|C<3>}	119.7600	0.000	1	119.5935	0.515	23	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	119.6640	0.579	6	119.5935	0.515	23	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	119.6990	0.000	1	119.5935	0.515	23	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.7770	0.000	1	119.9632	0.426	16	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	120.1000	0.000	1	119.9632	0.426	16	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	119.9604	0.787	7	119.9632	0.426	16	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	119.4518	0.390	4	119.9632	0.426	16	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.3347	0.184	3	119.9632	0.426	16	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	120.1172	0.254	4	119.2536	2.864	8	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	120.2155	0.264	2	119.2536	2.864	8	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	116.5645	0.699	2	119.2536	2.864	8	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	118.6073	0.882	6	118.6073	0.778	6	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|C<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.8030	0.000	1	120.8593	0.329	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.5090	0.000	1	120.8593	0.329	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.4380	0.000	1	120.8593	0.329	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	121.6870	0.000	1	120.8593	0.329	4	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.5330	0.000	1	121.5330	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){2|O<2>,5|C<3>}	120.7060	0.470	2	120.7060	0.220	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|O<2>,5|C<3>}	118.6130	0.000	1	118.6130	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.8330	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.2540	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	122.2470	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.3710	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.9586	1.001	5	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.7710	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.5020	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.9425	0.422	2	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<7>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	122.9000	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.2190	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.5860	0.000	1	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	121.0771	0.628	7	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.6012	0.789	4	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	119.9973	0.891	35	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.5356	0.682	11	120.3302	0.916	73	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.7975	0.144	2	120.6200	0.049	6	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.6405	0.247	2	120.6200	0.049	6	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.4220	0.143	2	120.6200	0.049	6	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|C<4>,1|O<2>,5|C<3>}	121.7975	0.332	2	121.7975	0.110	2	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.6180	0.000	1	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.4800	0.011	2	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.7440	0.000	1	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.9905	0.016	2	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.2266	0.806	34	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.1223	0.278	3	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.4385	0.062	2	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.4853	0.056	3	120.2856	0.548	48	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	119.5670	0.440	2	118.3632	0.668	12	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	118.1224	0.639	10	118.3632	0.668	12	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	117.4360	0.000	1	119.3456	1.214	5	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	119.9605	0.015	2	119.3456	1.214	5	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|Se<2>,5|C<3>}	119.6855	0.473	2	119.3456	1.214	5	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	118.9200	0.000	1	118.9200	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	121.6570	0.000	1	121.6570	0.000	1	120.5763	0.830	843	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	121.0660	0.000	1	121.0660	0.000	1	121.0660	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O){1|N<2>,2|H<1>,4|C<3>}	121.8260	0.000	1	121.8260	0.000	1	121.8260	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.7810	0.285	9	117.7810	0.081	9	117.7810	0.081	9	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	119.0850	0.000	1	121.6090	12.741	2	121.6090	12.741	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	124.1330	0.000	1	121.6090	12.741	2	121.6090	12.741	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,5|C<3>}	121.7780	0.000	1	121.7780	0.000	1	121.7780	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	123.3940	0.000	1	122.9545	0.386	2	122.9545	0.386	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	122.5150	0.000	1	122.9545	0.386	2	122.9545	0.386	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	118.0480	0.000	1	118.0480	0.000	1	120.3577	4.006	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|N<3>,3|C<3>,3|H<1>}	121.5125	0.097	2	121.5125	0.009	2	120.3577	4.006	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	120.3730	0.000	1	120.3730	0.000	1	119.5025	0.422	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.0815	0.391	2	119.2123	0.128	3	119.5025	0.422	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	119.4740	0.000	1	119.2123	0.128	3	119.5025	0.422	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.6640	0.000	1	120.3278	0.116	6	120.0949	0.366	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.9615	0.279	2	120.3278	0.116	6	120.0949	0.366	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.4600	0.182	3	120.3278	0.116	6	120.0949	0.366	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.3960	0.824	2	119.3960	0.680	2	120.0949	0.366	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Fe)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Fe<5>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Fe)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(Cl){1|H<1>,1|N<3>,4|C<3>}	119.2955	0.527	2	119.2955	0.278	2	118.1479	1.228	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	117.6760	0.000	1	117.6760	0.000	1	118.1479	1.228	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	115.8460	0.000	1	115.8460	0.000	1	118.1479	1.228	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Cl){1|N<3>,2|H<1>,4|C<3>}	118.2675	0.189	4	118.2675	0.036	4	118.1479	1.228	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.8107	0.263	6	118.7955	0.345	16	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.7864	0.733	10	118.7955	0.345	16	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	118.6500	0.000	1	119.3698	0.228	9	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	119.5905	0.279	6	119.3698	0.228	9	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	119.0675	0.663	2	119.3698	0.228	9	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cd)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cd)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	117.8295	0.353	2	117.8295	0.125	2	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	117.7410	0.535	2	117.7410	0.286	2	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.0500	0.000	1	118.6108	0.268	58	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.6667	0.476	3	118.6108	0.268	58	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.6181	0.523	54	118.6108	0.268	58	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Hg)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Hg<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Hg)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.3435	0.073	2	118.3435	0.005	2	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ni)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ni)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	117.9320	0.000	1	117.9320	0.000	1	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ni)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ni)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	116.5610	0.000	1	116.5610	0.000	1	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	119.3350	0.095	2	119.3350	0.009	2	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.4051	0.484	14	118.4051	0.234	14	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pt)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pt)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.3302	0.794	12	118.3302	0.630	12	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pt)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pt)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	116.7245	3.324	2	116.7245	11.050	2	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ru)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ru)(C[6a]C[6a]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	118.6672	0.416	4	118.6672	0.173	4	118.5698	0.540	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	120.4470	0.113	2	120.4470	0.013	2	120.4470	0.013	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]Pt)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]Pt)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|N<3>,5|C<3>}	121.2013	0.354	3	121.2013	0.126	3	121.2013	0.126	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O){1|H<1>,1|N<3>,5|C<3>}	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Pt)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Pt)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.3680	0.000	1	121.3680	0.000	1	121.3680	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	122.8735	0.762	2	122.8735	0.580	2	121.9250	1.451	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.2730	0.000	1	121.2730	0.000	1	121.9250	1.451	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	120.6800	0.000	1	120.6800	0.000	1	121.9250	1.451	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]H)(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]H)(C[6a]O[6a]O){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]C){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.9750	0.000	1	119.9750	0.000	1	119.9750	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	Ge[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](Ge[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]Ge[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](Ge[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|Ge<3>,2|H<1>,4|C<3>}	124.9385	0.040	2	124.9385	0.002	2	124.9385	0.002	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:	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)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	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>}	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>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.9670	0.153	2	120.9670	0.023	2	120.9670	0.023	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H){2|O<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|O<2>,5|C<3>}	125.4660	0.000	1	125.4660	0.000	1	125.4660	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,5|C<3>}	119.6110	0.000	1	119.6110	0.000	1	119.4773	1.079	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.4430	0.000	1	120.4430	0.000	1	119.4773	1.079	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|In<6>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.3780	0.000	1	118.3780	0.000	1	119.4773	1.079	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	121.8300	0.417	6	121.8300	0.174	6	121.2108	0.588	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.7165	0.446	2	120.7165	0.199	2	121.2108	0.588	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.1205	0.217	2	120.1205	0.047	2	121.2108	0.588	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O){2|O<2>,3|C<3>}	120.9380	0.198	2	120.9380	0.039	2	121.2108	0.588	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	116.9605	0.708	2	116.9605	0.501	2	119.5486	2.817	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	120.3870	0.000	1	120.3870	0.000	1	119.5486	2.817	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	120.4162	0.581	5	120.4162	0.338	5	119.5486	2.817	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H){1|H<1>,4|C<3>}	119.3130	0.000	1	119.3130	0.000	1	119.3143	0.107	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H){1|H<1>,4|C<3>}	119.6420	0.000	1	119.6420	0.000	1	119.3143	0.107	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]H)(H){1|H<1>,4|C<3>}	118.9880	0.000	1	118.9880	0.000	1	119.3143	0.107	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(I)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(I){1|H<1>,6|C<3>}	118.3443	0.321	3	118.3443	0.103	3	118.3443	0.103	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	121.9280	0.000	1	121.9500	0.001	2	121.0237	0.445	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	121.9720	0.000	1	121.9500	0.001	2	121.0237	0.445	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	120.6970	0.000	1	120.6970	0.000	1	121.0237	0.445	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	120.6423	0.297	4	120.6423	0.088	4	121.0237	0.445	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]Cd)(N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){1|Cd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<1>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]Cd)(N){1|H<1>,4|C<3>}	119.2140	0.000	1	119.2140	0.000	1	119.2140	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.2000	0.000	1	120.2000	0.000	1	120.2000	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	119.3940	0.000	1	119.3940	0.000	1	119.3940	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8600	0.000	1	117.8600	0.000	1	117.6970	0.674	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.6155	1.143	2	117.6155	1.307	2	117.6970	0.674	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.5369	0.391	28	118.5369	0.153	28	118.4876	0.183	33	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|B<4>,1|H<1>,3|C<3>}	118.4250	0.000	1	118.4250	0.000	1	118.4876	0.183	33	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	118.2080	0.000	1	118.2080	0.000	1	118.4876	0.183	33	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|B<4>,1|H<1>,3|C<3>}	118.5900	0.116	2	118.1423	0.608	3	118.4876	0.183	33	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.2470	0.000	1	118.1423	0.608	3	118.4876	0.183	33	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	119.6414	0.269	5	119.6414	0.073	5	119.6414	0.073	5	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]Ru)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<7>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ru<7>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]Ru)(H){1|H<1>,1|N<3>,3|C<3>}	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.8850	0.088	2	120.8850	0.008	2	120.9003	0.027	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9080	0.205	4	120.9080	0.042	4	120.9003	0.027	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	122.8100	0.000	1	122.8100	0.000	1	122.8100	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O){7|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	118.4980	0.000	1	118.4980	0.000	1	118.4980	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]N[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]N[6]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.9227	0.539	3	116.9227	0.290	3	116.9227	0.290	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	118.3360	0.000	1	118.3360	0.000	1	121.0491	1.302	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.9510	0.000	1	121.9510	0.000	1	121.0491	1.302	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.2378	0.241	4	121.2378	0.058	4	121.0491	1.302	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.7580	0.000	1	121.5775	0.065	2	121.0491	1.302	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.3970	0.000	1	121.5775	0.065	2	121.0491	1.302	8	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,4|C<3>}	120.7720	0.000	1	121.7177	0.742	3	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,4|C<3>}	121.9230	0.000	1	121.7177	0.742	3	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,4|C<3>}	122.4580	0.000	1	121.7177	0.742	3	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	120.4330	0.000	1	120.5481	0.265	7	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	120.5030	0.686	2	120.5481	0.265	7	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	120.6945	0.409	2	120.5481	0.265	7	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	119.8380	0.000	1	120.5481	0.265	7	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	121.1710	0.000	1	120.5481	0.265	7	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]I){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	120.5680	0.000	1	120.5680	0.000	1	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	120.2913	0.293	3	120.2913	0.086	3	120.7451	0.539	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	120.6210	0.000	1	120.6210	0.000	1	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	118.7650	0.000	1	118.7650	0.000	1	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){2|C<4>,2|H<1>,4|C<3>}	119.2780	0.000	1	119.2780	0.000	1	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(H){1|H<1>,4|C<3>}	118.4755	0.279	4	118.4755	0.078	4	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Fe)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Fe)(H){1|H<1>,4|C<3>}	118.7030	0.109	2	118.7030	0.012	2	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	118.7935	0.258	4	118.7935	0.067	4	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H){1|H<1>,4|C<3>}	119.2237	0.227	3	118.6200	0.756	5	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ni)(H){1|H<1>,4|C<3>}	117.7145	0.435	2	118.6200	0.756	5	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	119.0940	0.000	1	119.0940	0.000	1	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pd)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pd)(H){1|H<1>,4|C<3>}	118.7220	0.575	3	118.7220	0.330	3	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H){1|H<1>,4|C<3>}	119.1800	0.369	6	119.1800	0.136	6	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Zn)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Zn)(H){1|H<1>,4|C<3>}	118.4500	0.014	2	118.4500	0.000	2	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	118.8190	0.000	1	118.8190	0.000	1	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	118.4280	0.000	1	118.4280	0.000	1	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|O<2>,4|C<3>}	118.3770	0.216	5	118.3770	0.047	5	118.7735	0.316	37	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:Si[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]Si[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]Si[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	123.9665	0.366	2	123.9665	0.134	2	123.9665	0.134	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br){1|N<3>,2|C<3>,2|H<1>}	116.0300	0.279	6	116.0300	0.078	6	116.0300	0.078	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]Cl){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|Cl<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|C<4>}	114.1535	0.346	2	114.1535	0.120	2	116.1436	1.551	10	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|Re<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4195	0.339	2	116.4195	0.115	2	116.1436	1.551	10	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	116.7150	0.859	6	116.7150	0.738	6	116.1436	1.551	10	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]H){1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.2022	0.705	6	116.2022	0.497	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.8175	0.305	2	115.8175	0.093	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	117.1320	0.226	2	117.1320	0.051	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Br<1>,1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	117.7155	0.572	2	117.7155	0.327	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Co<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.7817	0.602	11	115.7817	0.363	11	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6985	1.036	2	115.8579	0.364	10	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Cu<5>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.6478	0.249	8	115.8579	0.364	10	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Fe<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.0168	0.214	6	116.0168	0.046	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7475	0.162	2	116.7475	0.026	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ni<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.0003	0.567	6	116.0003	0.321	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.2705	2.983	2	117.2705	8.900	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.9530	0.000	1	116.3486	0.130	7	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Zn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.2478	0.265	6	116.3486	0.130	7	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	117.7200	0.000	1	117.7200	0.000	1	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8512	0.241	4	117.8512	0.058	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3014	1.198	8	117.3014	1.436	8	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<7>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh){1|Rh<8>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4480	0.000	1	117.4480	0.000	1	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.3120	0.062	2	117.4077	0.151	20	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2417	0.361	4	117.4077	0.151	20	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1720	0.061	4	117.4077	0.151	20	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.4560	0.208	2	117.4077	0.151	20	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6205	0.492	8	117.4077	0.151	20	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ba)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ba<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ba){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6955	1.151	8	117.6955	1.325	8	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Bi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Bi<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Bi){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7660	1.060	6	116.7660	1.124	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2655	0.193	2	118.2655	0.037	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ca)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ca){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6605	0.252	4	117.1448	0.379	12	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ca)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ca){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8252	0.786	4	117.1448	0.379	12	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ca)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ca){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9485	0.409	4	117.1448	0.379	12	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	117.7597	1.036	4	117.7597	1.074	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7263	0.291	3	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.9305	0.672	2	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.3948	0.348	5	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4332	0.248	5	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.1637	0.692	6	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3069	0.545	92	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3635	0.425	13	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9630	0.086	3	117.2326	0.326	129	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cm)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cm<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cm){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4885	0.531	2	117.4885	0.282	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1413	0.861	7	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	115.8960	0.089	2	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.9095	0.602	2	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.3500	0.000	1	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7526	1.020	7	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.8150	0.392	2	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.5290	0.739	7	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.9040	0.000	1	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	114.8420	1.315	2	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7553	0.238	3	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8615	0.411	10	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2110	0.694	299	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.0960	0.102	2	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	115.5338	0.139	5	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9536	0.401	24	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4275	0.678	2	117.1056	0.542	376	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7910	1.112	2	116.9574	0.263	45	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9616	0.480	41	116.9574	0.263	45	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0385	1.037	2	116.9574	0.263	45	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,2|H<1>}	117.6288	0.602	10	117.6288	0.362	10	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	117.3850	0.000	1	117.3850	0.000	1	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6798	0.652	18	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.9322	0.208	5	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.0015	0.555	2	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.9998	0.287	4	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9723	0.471	15	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.6870	0.000	1	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1147	0.559	206	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.4110	0.395	4	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.3043	2.444	3	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.1266	0.546	33	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0557	0.996	162	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.0550	0.414	2	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9793	0.245	3	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7331	0.511	12	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.1930	0.000	1	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	115.9250	0.244	4	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.4710	0.879	4	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.3465	0.508	6	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.8097	0.936	337	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.8545	1.227	2	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6273	0.303	6	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.9410	0.208	2	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9094	0.548	30	116.9360	0.701	862	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Eu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Eu<13>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Eu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2250	0.714	4	117.5884	0.389	14	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Eu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Eu<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Eu){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7337	0.557	10	117.5884	0.389	14	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9645	0.245	2	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6585	0.575	2	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1271	0.354	10	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3902	0.656	6	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8865	0.509	11	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.4523	0.477	23	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0823	0.718	205	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1370	0.602	2	117.0236	0.486	261	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8277	1.187	6	118.8277	1.409	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Hg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Hg<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Hg){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8978	0.982	4	116.8978	0.964	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	117.7570	0.668	2	117.7570	0.446	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8790	0.133	2	117.0263	0.789	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3560	0.000	1	117.0263	0.789	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.2850	0.332	2	117.0263	0.789	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9500	0.993	11	117.0263	0.789	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.1700	0.455	2	117.0263	0.789	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	117.7605	0.252	2	117.7952	0.067	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	117.8300	0.363	2	117.7952	0.067	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Li)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Li){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.0697	0.113	4	117.0660	0.008	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Li)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Li){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0585	0.028	2	117.0660	0.008	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mg<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mg){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1583	0.311	11	117.1583	0.097	11	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.9285	0.911	2	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2756	0.529	9	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.4660	0.409	4	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.4460	0.000	1	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2426	0.688	311	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.2140	0.236	2	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2483	0.520	20	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8770	0.481	2	117.2429	0.447	351	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2778	0.741	24	117.3956	0.387	38	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.6431	0.205	10	117.3956	0.387	38	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6090	0.502	2	117.3956	0.387	38	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<9>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.3575	0.206	2	117.3956	0.387	38	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6860	0.748	2	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.9026	0.292	8	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1523	0.554	16	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.0330	0.000	1	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.2260	0.000	1	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.5220	1.024	4	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8568	0.443	6	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9940	0.102	2	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.9722	0.758	10	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.3080	0.407	2	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.8015	0.149	2	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9623	0.924	358	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.0877	0.090	3	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9104	0.460	8	116.9255	0.800	423	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]O){1|Pt<6>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5370	0.000	1	119.5370	0.000	1	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5355	0.961	38	117.5311	0.876	40	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<9>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4485	0.087	2	117.5311	0.876	40	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.0611	0.624	9	117.1617	0.447	83	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.1910	0.673	2	117.1617	0.447	83	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.0825	0.121	2	117.1617	0.447	83	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1274	0.729	55	117.1617	0.447	83	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3509	0.547	12	117.1617	0.447	83	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.8740	0.000	1	117.1617	0.447	83	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6150	0.021	2	117.1617	0.447	83	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.4480	0.000	1	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	116.8820	0.000	1	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7500	0.000	1	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7701	0.726	12	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.7698	0.342	4	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.0025	1.023	2	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2794	0.808	63	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6959	0.878	7	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4420	0.000	1	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2783	0.922	9	117.1369	0.687	101	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pu<11>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pu){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.3160	0.619	4	117.3160	0.383	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9730	0.000	1	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.1193	0.759	3	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5990	0.110	2	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3980	0.734	4	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1040	0.000	1	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1198	0.848	14	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0313	0.382	3	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.6410	0.000	1	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.6110	0.416	2	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4705	0.647	103	117.3979	0.483	134	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4325	0.202	4	117.1129	0.591	14	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3695	0.550	6	117.1129	0.591	14	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4085	1.042	4	117.1129	0.591	14	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	117.9685	0.074	2	117.9685	0.006	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3490	0.000	1	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.8948	1.018	19	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.8870	0.000	1	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.4263	0.365	3	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.1930	1.236	4	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3085	1.074	111	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9220	0.341	2	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|Ru<9>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8560	0.000	1	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1485	0.149	2	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1555	0.138	2	117.3550	1.103	146	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	117.3050	0.310	2	117.3050	0.096	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sb)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sb){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4785	0.002	2	117.5113	0.008	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sb)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sb){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5440	0.136	2	117.5113	0.008	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sm)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sm<11>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sm){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4617	0.454	4	117.4598	0.160	12	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sm)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sm<13>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sm){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5755	0.344	4	117.4598	0.160	12	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sm)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sm<9>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sm){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3423	0.476	4	117.4598	0.160	12	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5310	0.669	2	117.2690	0.143	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6400	0.031	2	117.2690	0.143	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1410	0.317	13	117.2690	0.143	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6670	0.000	1	117.2690	0.143	18	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sr<7>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sr){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6740	0.144	2	117.5510	0.054	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sr<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sr){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4280	0.283	2	117.5510	0.054	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]U)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|U<10>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]U){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7715	1.411	2	118.7715	1.990	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]V)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]V){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3060	0.279	2	117.0823	0.181	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]V)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<8>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]V){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.5975	0.043	2	117.0823	0.181	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]V)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<9>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]V){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3435	0.342	2	117.0823	0.181	6	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]W)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|W<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]W){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7689	0.414	8	117.7689	0.171	8	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7207	0.956	4	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.0930	0.315	5	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9146	0.537	8	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0160	0.000	1	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4585	0.163	2	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	116.1428	0.851	4	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.9642	0.594	5	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9792	0.510	65	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.1230	0.728	2	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.8295	2.272	4	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0624	0.722	106	116.9214	0.570	206	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.0180	0.000	1	117.0180	0.000	1	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9295	0.022	2	117.9123	0.001	3	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.8780	0.000	1	117.9123	0.001	3	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.3227	0.541	4	117.3227	0.292	4	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.3650	0.000	1	117.3650	0.000	1	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.9530	0.086	2	116.9530	0.007	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.9799	1.935	12	116.9799	3.742	12	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	116.2115	0.093	2	116.2115	0.009	2	117.0783	0.669	3497	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.1610	0.322	2	120.1610	0.104	2	118.7652	2.877	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	117.3695	0.856	2	117.3695	0.733	2	118.7652	2.877	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.2640	0.000	1	118.2640	0.000	1	117.3885	1.533	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.5130	0.000	1	116.5130	0.000	1	117.3885	1.533	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.9895	0.111	2	119.9895	0.012	2	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	117.7050	0.000	1	117.7050	0.000	1	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	117.7420	0.000	1	117.7420	0.000	1	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	118.6940	0.081	2	118.6940	0.006	2	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.9490	0.000	1	118.9490	0.000	1	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|N<3>,3|C<3>}	120.3160	0.000	1	120.3160	0.000	1	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,2|N<3>,3|C<3>}	119.9940	0.000	1	119.9940	0.000	1	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Co<6>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	119.9260	0.000	1	119.9260	0.000	1	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	119.4590	0.000	1	118.9087	0.249	3	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	118.6335	0.210	2	118.9087	0.249	3	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ti<9>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|Ti<9>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.5325	0.235	2	118.5325	0.055	2	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|P<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|P<4>,2|H<1>,3|C<3>}	119.1480	0.000	1	118.4328	0.166	6	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.2898	0.233	5	118.4328	0.166	6	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	118.3710	0.508	2	118.3710	0.258	2	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.1315	0.153	2	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cu<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<2>,1|H<1>,3|C<3>}	117.7140	0.921	2	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	118.6190	0.616	22	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ir<7>,1|H<1>,3|C<3>}	117.9754	0.624	5	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	117.5785	0.246	4	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	118.5142	1.368	5	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	119.4322	0.950	5	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Zn<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	118.7465	0.233	2	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	118.6420	0.161	3	118.4930	0.671	50	118.5997	0.665	73	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.4340	0.000	1	120.4340	0.000	1	119.9491	0.240	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	120.1640	0.000	1	120.1640	0.000	1	119.9491	0.240	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Br<1>,1|H<1>,3|C<3>}	120.2900	0.000	1	119.8691	0.287	9	119.9491	0.240	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	119.7713	0.831	3	119.8691	0.287	9	119.9491	0.240	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	119.7242	0.376	4	119.8691	0.287	9	119.9491	0.240	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	120.3210	0.000	1	119.8691	0.287	9	119.9491	0.240	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.9690	0.000	1	119.9690	0.000	1	119.9491	0.240	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	118.8873	0.235	3	118.8873	0.055	3	118.5333	0.870	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	119.1190	0.000	1	119.1190	0.000	1	118.5333	0.870	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	118.7500	0.000	1	118.7500	0.000	1	118.5333	0.870	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Fe<5>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Fe)(H){1|Fe<5>,1|H<1>,3|C<3>}	116.6690	0.000	1	116.6690	0.000	1	118.5333	0.870	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|H<1>,2|O<2>,3|C<3>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|H<1>,4|C<3>}	118.6770	0.000	1	118.6770	0.000	1	118.6770	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6]){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	118.1320	0.000	1	118.1320	0.000	1	118.8842	0.887	5	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6]){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(H){1|H<1>,4|C<3>}	119.0722	0.973	4	119.0722	0.947	4	118.8842	0.887	5	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.6820	0.808	2	121.6820	0.652	2	121.6820	0.652	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.3260	0.136	2	120.5207	0.214	4	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.7155	0.687	2	120.5207	0.214	4	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.8330	0.588	2	120.8330	0.346	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.0160	0.074	2	120.0160	0.005	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	121.6345	0.179	2	121.6345	0.032	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	121.5210	0.978	4	121.5210	0.957	4	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.3740	0.144	2	120.3740	0.021	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.0065	0.120	2	120.0065	0.014	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	121.3970	0.013	2	121.3970	0.000	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	119.5195	1.480	2	120.3828	1.455	6	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	121.2335	0.821	2	120.3828	1.455	6	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	119.5370	0.000	1	120.3828	1.455	6	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	121.2540	0.000	1	120.3828	1.455	6	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O){1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	120.3830	0.441	2	120.3830	0.195	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O){1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	118.9730	0.099	2	118.9730	0.010	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.6195	0.320	2	120.6195	0.103	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.7830	0.000	1	120.9403	0.091	7	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.9665	0.322	6	120.9403	0.091	7	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	119.9520	0.000	1	119.9520	0.000	1	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){2|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	120.7940	0.313	2	120.7940	0.098	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	122.4250	0.000	1	122.4250	0.000	1	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	120.4880	0.020	2	120.4880	0.000	2	120.6769	0.697	45	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]S)(C[6]C[6,6a]S){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){2|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(S){2|S<1>,5|C<3>}	120.4570	0.222	2	120.4570	0.049	2	120.4570	0.049	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br){1|H<1>,6|C<3>}	116.5935	1.131	2	116.5935	1.278	2	116.5935	1.278	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	116.0930	0.000	1	116.0930	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	118.5000	0.000	1	118.5000	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<2>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,3|C<3>}	118.0870	0.000	1	118.0870	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|O<2>,3|C<3>}	117.9600	0.000	1	117.9600	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	120.0485	0.207	2	120.0485	0.043	2	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<1>,4|C<3>}	120.5375	0.115	2	120.5375	0.013	2	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	117.6940	0.000	1	117.6940	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,4|C<3>}	116.9823	0.207	6	116.9044	0.057	8	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,3|C<3>}	116.6705	0.189	2	116.9044	0.057	8	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.4038	0.356	4	119.4038	0.127	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ti<9>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|Ti<9>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.5010	0.000	1	118.5010	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	118.3200	0.751	4	118.3200	0.564	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ce<12>,1|H<1>,1|O<3>,3|C<3>}	118.9772	0.410	6	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<13>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ce<13>,1|H<1>,1|O<3>,3|C<3>}	118.9235	1.208	10	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<14>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ce<14>,1|H<1>,1|O<3>,3|C<3>}	119.1506	0.717	23	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Eu<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,1|O<2>,3|C<3>}	119.0247	0.971	12	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Eu<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,1|O<3>,3|C<3>}	118.9322	0.316	6	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|La<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|La<12>,1|H<1>,1|O<2>,3|C<3>}	120.0090	0.000	2	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|La<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|La<12>,1|H<1>,1|O<3>,3|C<3>}	118.5978	0.801	6	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Lu<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Lu<12>,1|H<1>,1|O<3>,3|C<3>}	118.3152	0.724	6	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.2960	0.000	1	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Pd<4>,2|H<1>,3|C<3>}	118.7440	0.122	2	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|U<13>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|U<13>,1|H<1>,1|O<3>,3|C<3>}	118.3181	0.911	12	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Y<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Y<12>,1|H<1>,1|O<2>,3|C<3>}	119.1360	0.221	2	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Yb<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,1|O<2>,3|C<3>}	119.1030	0.427	2	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.6426	0.976	5	118.8762	0.709	95	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ti<11>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H){1|Ti<11>,1|H<1>,1|O<2>,3|C<3>}	119.0367	0.490	8	118.6428	0.500	12	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Zr<13>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H){1|Zr<13>,1|H<1>,1|O<2>,3|C<3>}	117.8550	0.181	4	118.6428	0.500	12	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,1|V<7>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|V<7>,3|C<3>}	119.1620	0.000	1	119.0325	0.164	68	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,1|V<9>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|V<9>,3|C<3>}	118.9970	0.000	1	119.0325	0.164	68	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|V<10>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|V<10>,1|H<1>,1|O<2>,3|C<3>}	119.1827	0.423	4	119.0325	0.164	68	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.0213	0.411	62	119.0325	0.164	68	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H){1|H<1>,1|O<1>,3|C<3>}	119.2870	0.000	1	119.2870	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	119.3800	0.000	1	119.3800	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	119.5580	0.000	1	119.5580	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Au<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|Au<3>,1|H<1>,3|C<3>}	119.6070	0.000	1	119.6070	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	122.7630	0.000	1	122.7630	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	119.4710	0.000	1	119.4710	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.2287	0.422	48	119.2287	0.178	48	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	119.5810	0.000	1	120.0053	0.100	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.1085	0.228	2	120.0053	0.100	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.2230	0.000	1	120.0053	0.100	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	117.9942	0.415	4	117.9942	0.172	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.2295	0.207	2	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	118.1250	0.348	5	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	117.2110	0.000	1	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cd<7>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cd<7>,1|H<1>,3|C<3>}	118.0739	0.368	15	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	118.1190	0.000	1	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	117.8480	0.153	4	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<7>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Mn<7>,1|H<1>,3|C<3>}	118.0497	0.201	3	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	118.3420	0.647	14	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	117.9435	0.111	2	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	117.9363	0.717	3	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cu<5>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	118.7580	0.054	2	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Fe<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	118.3440	0.000	1	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	118.6270	0.000	1	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3840	0.000	1	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Ni<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	118.3220	0.000	1	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	118.1810	0.373	2	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Re<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	118.7630	0.000	1	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Tc<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Tc<6>,1|H<1>,3|C<3>}	118.6350	0.160	2	118.1989	0.243	61	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	116.7900	0.000	1	116.7900	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	118.7147	3.472	4	118.7147	12.053	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	117.8610	0.000	1	117.8610	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	116.9993	1.708	4	117.3735	1.565	8	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	117.7477	0.601	4	117.3735	1.565	8	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	117.9740	0.000	1	117.9740	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ag<5>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ag<5>,1|H<1>,3|C<3>}	117.5915	0.330	2	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	115.3390	0.000	1	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Mn<6>,1|H<1>,3|C<3>}	117.9405	0.298	2	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	117.6040	0.000	1	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Au<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Au<4>,1|H<1>,3|C<3>}	117.4140	0.000	1	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	117.2900	0.000	1	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Fe<6>,1|H<1>,3|C<3>}	117.4170	0.000	1	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	117.2300	0.000	1	117.3358	0.572	10	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.9196	1.225	29	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cr<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cr<6>,1|H<1>,3|C<3>}	117.5624	0.629	7	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	117.2867	0.493	3	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	117.2130	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<8>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Fe<8>,1|H<1>,3|C<3>}	117.7230	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ga<6>,1|H<1>,3|C<3>}	118.3137	0.421	3	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	117.7980	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	117.2000	0.646	2	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.9770	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	118.2330	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Rh<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Rh<6>,1|H<1>,3|C<3>}	116.7040	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	120.7795	0.084	2	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	118.2971	0.501	10	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	117.7760	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.1620	0.000	1	117.9363	1.157	64	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,4|C<3>}	118.8320	0.000	1	118.8320	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Fe<6>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	118.1080	0.000	1	118.6683	1.192	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Pt<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	117.6240	0.000	1	118.6683	1.192	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	119.4705	0.941	2	118.6683	1.192	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	119.2670	0.000	1	119.2670	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Rh){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.0740	0.000	1	118.0890	0.005	3	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Rh){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.0965	0.100	2	118.0890	0.005	3	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.6495	0.011	2	118.6495	0.000	2	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Th)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Th<13>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Th){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Th<13>,1|H<1>,3|C<3>}	117.7470	0.000	1	117.7470	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	118.9410	0.759	2	118.9410	0.577	2	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	117.2840	0.000	1	117.2840	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H){2|C<4>,2|H<1>,3|C<3>}	119.1250	0.000	1	119.1250	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	118.7123	0.560	3	118.7123	0.314	3	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6])(H){1|H<1>,1|O<2>,4|C<3>}	118.5850	0.000	2	118.5850	0.000	2	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6])(H){2|C<4>,2|H<1>,3|C<3>}	118.5770	0.000	2	118.5770	0.000	2	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	118.8101	0.159	9	118.8101	0.025	9	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]S){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	118.7468	0.223	4	118.7468	0.050	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,5|C<3>}	123.5760	0.000	1	123.5760	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.8370	0.000	1	119.8370	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	117.8690	0.000	1	117.8690	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.4463	0.524	3	119.5027	0.196	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.6720	0.000	1	119.5027	0.196	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|S<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	120.1492	0.201	4	120.1492	0.041	4	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sb)(C[6]C[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<5>,1|C<2>,1|C<3>,1|P<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sb)(C[6]C[6]P){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.4280	0.000	1	119.4280	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|O<1>,1|P<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,1|P<3>,3|C<3>}	118.8650	0.000	1	118.8650	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	115.2260	0.000	1	115.2260	0.000	1	118.6237	1.043	463	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|H<1>,5|C<3>}	118.0110	0.000	1	118.1930	0.066	2	118.1930	0.066	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|H<1>,5|C<3>}	118.3750	0.000	1	118.1930	0.066	2	118.1930	0.066	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.1470	0.345	2	120.1470	0.119	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|O<2>,3|C<3>}	120.0180	0.000	1	120.0180	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	119.5470	0.000	1	119.5470	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.1810	0.127	4	120.1810	0.016	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	119.0920	0.000	1	119.0920	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	119.0290	0.000	1	119.0290	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	118.4850	0.000	1	118.4850	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,6|C<3>}	119.2553	0.335	4	119.2553	0.112	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	117.4243	0.236	4	117.4243	0.056	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	120.2627	0.409	4	120.2627	0.167	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	119.5430	0.000	1	119.5430	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|N<3>,4|C<3>}	120.6085	0.347	2	120.6085	0.121	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	120.6950	0.000	1	120.6950	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>}	118.5070	0.000	1	118.5070	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|H<1>,3|C<3>}	118.0220	0.000	1	118.0220	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.6290	0.225	2	119.6290	0.051	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	120.2440	0.000	1	120.2440	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	121.1930	0.000	1	121.1930	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.8240	0.000	1	120.8240	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	120.1780	0.000	1	120.1780	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	120.9840	0.000	1	120.9840	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.1530	0.495	2	121.1530	0.245	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.0500	0.000	1	119.0500	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.6080	0.000	1	120.6080	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	118.2295	0.035	2	118.2295	0.001	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	118.3640	0.000	1	118.3640	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	120.2655	0.189	2	120.2655	0.036	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.0065	0.095	4	121.0065	0.009	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	120.7375	0.640	2	120.7375	0.410	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.7130	0.000	1	120.7130	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	122.3150	0.000	1	122.3150	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	120.3880	0.000	1	120.3880	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.8986	0.372	5	120.8870	0.111	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.8290	0.000	1	120.8870	0.111	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	120.7540	0.000	1	120.8900	0.578	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	120.2070	0.000	1	120.8900	0.578	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	121.7090	0.000	1	120.8900	0.578	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|H<1>,6|C<3>}	120.1202	0.180	4	120.1202	0.033	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	120.5960	0.184	2	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.8885	0.384	4	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.7210	0.094	3	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,5|C<3>}	120.6050	0.163	2	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	120.0515	0.360	2	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,6|C<3>}	120.5765	0.138	4	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	120.4800	0.000	1	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){2|H<1>,5|C<3>}	121.7782	0.269	6	120.9032	0.356	24	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	121.0270	0.000	1	120.8612	0.285	13	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	120.9650	0.324	2	120.8612	0.285	13	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	120.8200	0.000	1	120.8612	0.285	13	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	120.7175	0.589	8	120.8612	0.285	13	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	121.6780	0.000	1	120.8612	0.285	13	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	121.0525	0.151	2	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|Br<1>,1|H<1>,3|C<3>}	120.2470	0.000	1	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	119.7175	0.262	2	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	120.3810	0.000	1	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.8170	0.613	14	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|S<2>,3|C<3>}	120.1815	0.544	14	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	120.4050	0.843	5	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	120.0351	0.467	7	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	121.1000	0.000	1	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){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]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.0780	0.000	1	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.1480	0.000	1	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	120.7003	0.470	7	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	120.9650	0.000	1	120.4493	0.386	57	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|C<4>,1|H<1>,3|C<3>}	120.1440	0.208	2	120.7116	0.159	21	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|H<1>,3|C<3>}	121.0050	0.205	2	120.7116	0.159	21	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<2>,3|C<3>}	120.6090	0.000	1	120.7116	0.159	21	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	120.7523	0.387	16	120.7116	0.159	21	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	119.5370	0.000	1	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	119.3345	0.254	2	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	119.3900	0.000	1	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	119.6305	0.297	6	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	120.0000	0.000	1	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.3418	0.531	11	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.3259	0.202	7	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	120.3830	0.000	1	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.0553	0.164	4	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	120.4690	0.000	1	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	120.0550	0.117	2	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.2149	0.189	8	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.6777	0.171	3	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.2600	0.935	4	120.1422	0.240	52	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	121.0011	0.354	7	121.0086	0.108	8	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){2|H<1>,3|C<3>}	121.0610	0.000	1	121.0086	0.108	8	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ir)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Ir<9>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Ir<9>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ir)(O){1|H<1>,3|C<3>}	120.3295	0.728	2	120.3295	0.529	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	120.5670	0.000	1	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	120.2400	0.000	1	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	120.0571	0.776	8	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	119.5888	0.433	5	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	120.2358	0.365	13	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	120.0313	0.536	6	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	121.2450	0.247	2	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	120.2509	0.532	11	120.1641	0.335	47	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	120.9220	0.000	1	120.3670	0.616	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	119.8120	0.000	1	120.3670	0.616	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	120.9285	0.202	2	120.9285	0.041	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>}	121.5480	0.000	1	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	120.6800	0.000	1	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	119.5133	0.537	17	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|I<1>,3|C<3>}	120.0091	0.619	7	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	120.6875	0.053	2	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.2950	0.276	7	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	120.0380	0.253	5	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.0380	0.000	1	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.9970	0.139	2	119.9460	0.380	43	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,3|C<3>}	120.2268	0.776	14	120.2047	0.541	19	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	119.2850	0.000	1	120.2047	0.541	19	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,3|C<3>}	120.4220	0.759	2	120.2047	0.541	19	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){2|H<1>,3|C<3>}	119.8600	0.000	1	120.2047	0.541	19	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<3>,3|C<3>}	120.7250	0.000	1	120.2047	0.541	19	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O){2|H<1>,3|C<3>}	120.1900	0.000	1	120.1900	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	120.6278	0.287	5	120.6310	0.066	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,6|C<3>}	120.6470	0.000	1	120.6310	0.066	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.4177	0.187	3	120.4177	0.035	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	119.5360	0.000	1	119.5360	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	121.6560	0.000	1	121.1610	0.490	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	120.6660	0.000	1	121.1610	0.490	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.7725	0.049	2	120.7725	0.002	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	121.1390	0.000	1	121.1390	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	118.9710	0.000	1	119.0910	0.029	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.2110	0.000	1	119.0910	0.029	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	119.4150	0.000	1	119.4825	0.009	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.5500	0.000	1	119.4825	0.009	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.6405	0.037	2	119.6510	0.001	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	119.6720	0.000	1	119.6510	0.001	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){2|H<1>,3|C<3>}	119.7840	0.000	1	119.7840	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	119.1400	0.000	1	119.6110	0.444	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	120.0820	0.000	1	119.6110	0.444	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.3882	0.349	4	120.3882	0.122	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.0865	0.932	4	120.0865	0.868	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	121.0120	0.000	1	121.0120	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	121.0730	0.000	1	121.0730	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.4170	0.000	1	120.4170	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|I<1>,3|C<3>}	119.2660	0.000	1	119.2660	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|I<1>,3|C<3>}	119.0340	0.000	1	118.6387	0.125	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	118.4410	0.127	2	118.6387	0.125	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	119.0425	0.832	2	119.0425	0.693	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	118.2120	0.000	1	118.2120	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|I<1>,3|C<3>}	119.3590	0.047	2	119.3590	0.002	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	118.6770	0.000	1	118.6770	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	120.8980	0.000	1	120.8980	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]N){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	118.9740	0.000	1	118.9740	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	119.7090	0.000	1	119.7090	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,3|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|O<2>,3|C<3>}	119.3620	0.004	2	119.3620	0.000	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	121.2140	0.000	1	121.2140	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.3330	0.073	3	120.3435	0.004	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	120.3750	0.000	1	120.3435	0.004	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	120.9960	0.000	1	120.9960	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,3|C<3>}	119.9800	0.000	1	121.9857	3.426	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>}	122.9885	0.904	2	121.9857	3.426	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	120.4370	0.136	2	120.4918	0.026	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,4|C<3>}	120.4520	0.000	1	120.4918	0.026	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	120.4320	0.000	1	120.4918	0.026	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,1|S<2>,3|C<3>}	120.3960	0.000	1	120.4918	0.026	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.7970	0.000	1	120.4918	0.026	6	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	119.5070	0.000	1	119.5070	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|O<2>,3|C<3>}	119.4675	0.190	2	119.4303	0.022	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	119.3560	0.000	1	119.4303	0.022	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.2790	0.000	1	120.2790	0.000	1	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	120.6730	0.000	1	120.3370	0.226	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	120.0010	0.000	1	120.3370	0.226	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|O<2>,3|C<3>}	120.5460	0.074	2	120.3427	0.127	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	119.9360	0.000	1	120.3427	0.127	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.1840	0.000	1	119.5203	1.302	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|O<2>,3|C<3>}	118.2030	0.000	1	119.5203	1.302	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	120.1740	0.000	1	119.5203	1.302	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	119.4230	0.000	1	119.0970	0.213	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	118.7710	0.000	1	119.0970	0.213	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	118.9580	0.150	4	118.9580	0.022	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	119.2560	0.168	2	119.2560	0.028	2	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	119.6895	0.858	4	119.6895	0.735	4	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	118.3005	0.030	2	118.5497	0.187	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.0480	0.000	1	118.5497	0.187	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	119.9860	0.000	1	120.3220	0.147	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|N<2>,2|C<3>,2|H<1>}	120.7400	0.000	1	120.3220	0.147	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	120.2400	0.000	1	120.3220	0.147	3	120.2131	0.656	455	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	118.5770	0.000	1	118.5770	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]N[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.7260	0.000	1	117.7260	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	118.9362	0.332	6	118.9362	0.110	6	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,1|C<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H){2|H<1>,3|C<3>}	118.2995	1.333	2	118.2995	1.777	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]Pd){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	118.7580	0.000	1	118.7580	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	119.1325	0.873	2	119.1325	0.763	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	118.6250	0.000	1	118.6250	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ag)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ag<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ag)(H){1|C<4>,1|H<1>,3|C<3>}	117.0145	0.275	2	117.0145	0.076	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Au)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Au<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Au)(H){1|H<1>,4|C<3>}	119.1890	0.000	1	119.1890	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	118.3922	0.837	29	118.4360	0.683	31	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	119.1310	0.000	1	118.4360	0.683	31	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	119.0130	0.000	1	118.4360	0.683	31	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H){1|C<4>,1|H<1>,3|C<3>}	121.0870	0.000	1	118.6200	3.834	6	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(H){1|H<1>,4|C<3>}	118.1266	1.722	5	118.6200	3.834	6	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cr)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cr<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cr)(H){2|H<1>,3|C<3>}	117.6469	0.973	7	117.6469	0.946	7	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H){2|H<1>,3|C<3>}	117.9727	0.375	3	117.9828	0.094	4	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(H){2|H<1>,3|C<3>}	118.0130	0.000	1	117.9828	0.094	4	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H){1|H<1>,4|C<3>}	117.9030	0.000	1	117.7085	0.076	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<8>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(H){2|H<1>,3|C<3>}	117.5140	0.000	1	117.7085	0.076	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ga<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H){2|H<1>,3|C<3>}	117.5890	0.831	3	117.5890	0.690	3	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	118.4672	0.958	10	118.4672	0.918	10	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(H){1|C<4>,1|H<1>,3|C<3>}	117.2865	0.118	2	117.2865	0.014	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){2|H<1>,3|C<3>}	119.0810	0.000	1	119.0810	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H){2|H<1>,3|C<3>}	117.8865	0.008	2	117.9610	0.017	3	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(H){1|H<1>,4|C<3>}	118.1100	0.000	1	117.9610	0.017	3	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	118.5770	0.000	1	118.6845	0.023	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	118.7920	0.000	1	118.6845	0.023	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H){2|H<1>,3|C<3>}	117.8470	0.000	1	118.5315	0.937	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(H){1|H<1>,4|C<3>}	119.2160	0.000	1	118.5315	0.937	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H){1|H<1>,4|C<3>}	117.9983	2.063	9	117.9983	4.254	9	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Rh)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Rh<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Rh)(H){2|H<1>,3|C<3>}	117.9120	0.000	1	117.9120	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(H){2|H<1>,3|C<3>}	115.6250	0.072	2	115.6250	0.005	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,2|N<2>,4|C<3>}	117.6080	0.000	1	117.9050	0.176	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	118.2020	0.000	1	117.9050	0.176	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Pt)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Pt<4>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Pt)(H){1|Pt<4>,1|H<1>,3|C<3>}	116.3080	1.144	2	116.3080	1.309	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Re<6>,1|C<3>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H){1|H<1>,3|C<3>}	115.9155	0.282	2	116.4320	0.617	7	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Re<6>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Re<6>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Re)(H){1|Re<6>,1|H<1>,3|C<3>}	116.6386	0.848	5	116.4320	0.617	7	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<5>,1|C<3>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H){1|H<1>,3|C<3>}	116.0855	0.455	2	116.5276	0.310	8	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<5>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H){1|Ru<5>,1|H<1>,3|C<3>}	116.8520	0.575	4	116.5276	0.310	8	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(H){1|H<1>,3|C<3>}	116.3210	0.279	2	116.5276	0.310	8	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Zn)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Zn<4>,1|C<3>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Zn)(H){1|H<1>,3|C<3>}	116.4075	0.070	2	116.4075	0.005	2	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H){2|H<1>,2|O<2>,3|C<3>}	120.8310	0.000	1	120.8310	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(H){1|H<1>,1|N<3>,3|C<3>}	117.8910	0.000	1	117.8910	0.000	1	117.9781	1.564	125	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	122.0640	0.000	1	121.8340	0.106	2	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){3|C<3>,3|H<1>}	121.6040	0.000	1	121.8340	0.106	2	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.1097	0.601	3	120.2103	0.282	4	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	120.5120	0.000	1	120.2103	0.282	4	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O){1|O<1>,2|H<1>,5|C<3>}	121.5730	0.000	1	121.5730	0.000	1	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,4|C<3>}	121.7065	0.087	2	121.7065	0.008	2	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,5|C<3>}	120.9420	0.000	1	120.9420	0.000	1	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,1|O<2>,4|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.1163	0.673	11	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){2|H<1>,3|C<3>}	119.6270	0.000	1	119.6270	0.000	1	119.6270	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:Se-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]Se){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]H)(C[6]C[6]H){1|Se<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se){2|H<1>,3|C<3>}	120.4550	0.042	2	120.4550	0.002	2	120.4550	0.002	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]S){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(S){1|N<3>,2|H<1>,4|C<3>}	120.7140	0.387	2	120.7140	0.150	2	120.7140	0.150	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	116.2880	0.000	1	116.2880	0.000	1	116.6542	0.116	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	117.1080	0.000	1	116.8390	0.145	2	116.6542	0.116	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|H<1>,3|C<3>}	116.5700	0.000	1	116.8390	0.145	2	116.6542	0.116	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|Ir<8>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	116.6510	0.000	1	116.6510	0.000	1	116.6542	0.116	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ir<6>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.0580	0.000	1	116.0580	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ir){1|Br<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	117.7290	0.437	2	117.7290	0.191	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru){2|Br<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	115.7550	0.000	1	115.7550	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.9467	0.033	3	117.2958	0.268	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.8195	0.397	2	117.2958	0.268	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.5385	0.575	2	116.5385	0.330	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	116.9830	0.000	1	116.9830	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Al<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al){1|Cl<1>,1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	116.0545	0.512	4	116.0545	0.262	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	117.4290	0.000	1	117.4290	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Fe<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Fe){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	116.5098	0.328	6	116.5098	0.107	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	117.4100	0.346	3	117.4100	0.119	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Os<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Os){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	116.7150	0.000	1	116.7150	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|Cl<1>,1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	117.4370	0.630	3	116.9888	0.426	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	116.5407	0.257	3	116.9888	0.426	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Re<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Re){2|Cl<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	117.8000	0.000	1	117.8000	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Rh<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	116.7970	0.000	1	116.7970	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Sn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn){2|Cl<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	117.0095	0.036	2	117.0095	0.001	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Zn<4>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	117.0750	0.000	1	117.1290	0.006	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	117.1830	0.000	1	117.1290	0.006	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]C[6]H){1|Ir<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir){1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	117.7283	0.474	4	117.7283	0.225	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]Al){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.9780	0.000	1	118.9780	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]Pt){1|S<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9912	0.700	4	118.9912	0.490	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8140	0.359	2	118.8140	0.129	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.3790	0.007	2	120.3790	0.000	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Pt){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7975	0.115	2	118.7975	0.013	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.3080	0.000	1	120.3080	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.3250	0.000	1	118.3250	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.3465	0.093	2	118.3465	0.009	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ag){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4120	0.765	2	117.4120	0.585	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4090	0.634	2	119.4090	0.401	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Cr){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.8970	0.000	1	118.8970	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7760	0.000	1	118.7760	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4193	0.206	4	118.0441	0.186	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.6690	0.129	4	118.0441	0.186	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ir){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2780	0.000	1	118.4140	0.127	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ir){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4820	0.477	2	118.4140	0.127	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ni){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9580	0.160	2	117.9760	0.063	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ni){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8165	0.220	2	117.9760	0.063	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.3310	0.000	1	117.9760	0.063	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0240	0.284	2	119.0240	0.081	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Os){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3380	0.000	1	117.3380	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7204	0.872	11	117.7372	0.695	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9220	0.000	1	117.7372	0.695	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Re){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3970	0.918	2	119.3970	0.842	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2787	0.040	3	117.5406	0.488	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9060	0.000	1	117.5406	0.488	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8380	0.000	1	117.5406	0.488	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5370	0.000	1	117.5406	0.488	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.6670	0.000	1	117.5406	0.488	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Ru){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8520	0.000	1	118.8520	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|Zn<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	118.3350	0.000	1	118.3350	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.9160	0.288	2	118.0980	0.732	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.3860	0.544	4	118.0980	0.732	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1687	0.557	3	118.0980	0.732	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Co){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.5590	0.592	4	118.5590	0.350	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<8>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cr){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7994	0.309	5	117.7994	0.095	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Cu){1|Ru<10>,1|C<4>,1|C<5>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8628	0.266	4	118.8628	0.071	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Fe){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.6230	0.000	1	118.6230	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Ru){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8947	0.965	3	118.8947	0.931	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zn){1|Ru<10>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4985	0.131	2	118.4720	0.011	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(N[6]C[6]Zn){1|Fe<10>,1|C<4>,1|C<5>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4190	0.000	1	118.4720	0.011	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Cr){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2597	0.248	12	118.2597	0.061	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Fe){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.6835	0.211	2	118.6835	0.045	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9975	0.117	2	118.5675	0.841	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Pt){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.1375	1.330	2	118.5675	0.841	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]Ru){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8078	0.510	6	118.8078	0.260	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|F<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4300	2.551	2	116.3027	3.303	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|F<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]Pd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.0480	0.000	1	116.3027	3.303	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ga<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3810	0.000	1	119.3810	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ag){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7990	0.000	1	117.7380	0.005	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ag){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7075	0.063	2	117.7380	0.005	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Al){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8901	0.258	7	117.8485	0.071	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Al){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.5570	0.000	1	117.8485	0.071	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Au)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Au<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Au){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7860	0.908	2	117.7860	0.824	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]B){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0530	0.191	2	119.0530	0.036	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Bi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Bi<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Bi){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.0380	0.105	2	118.0380	0.011	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	120.0330	0.000	1	120.0330	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H){1|N<3>,2|C<3>,2|H<1>}	119.2670	0.000	1	119.2670	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,3|H<1>}	119.5210	0.000	1	119.5210	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	119.2707	0.238	3	119.2542	0.069	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	119.5110	0.000	1	119.2542	0.069	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	118.9480	0.000	1	119.2542	0.069	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	118.1130	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9550	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1550	0.184	2	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.3810	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]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]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9555	0.923	2	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]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]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0910	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	118.3210	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	118.6910	0.395	3	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.1280	0.526	2	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.4170	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4400	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.2826	0.788	30	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.7167	1.036	28	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	118.8950	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	118.3440	0.000	1	118.9481	0.775	76	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|C<3>,2|H<1>}	120.2183	0.447	3	120.2183	0.200	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9730	0.000	1	117.9384	0.214	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.6193	0.398	6	117.9384	0.214	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0366	0.437	9	117.9384	0.214	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<8>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2707	0.498	3	117.9384	0.214	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.8650	1.587	2	118.8650	2.518	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5230	0.000	1	118.0894	0.344	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8562	0.953	6	118.0894	0.344	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.1961	0.394	8	118.0894	0.344	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.5885	0.097	2	118.0894	0.344	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6600	0.000	1	118.0894	0.344	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2100	0.051	2	118.0894	0.344	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Co){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2405	0.288	2	118.0894	0.344	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	117.1067	1.141	3	117.1067	1.302	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2160	0.000	1	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.1960	0.608	2	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6455	0.436	2	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9756	0.670	19	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6600	0.000	1	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0062	0.618	11	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.2117	0.188	3	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4670	0.000	1	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2218	0.549	5	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.7135	0.409	2	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3372	0.444	6	118.0533	0.321	53	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9325	0.235	2	118.0743	0.263	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9970	0.130	2	118.0743	0.263	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0419	0.440	17	118.0743	0.263	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Fe){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.1730	0.711	10	118.0743	0.263	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	117.7250	0.000	1	117.8860	0.038	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.8290	0.000	1	117.8860	0.038	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.1040	0.000	1	117.8860	0.038	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6610	0.000	1	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7280	0.000	1	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	118.5535	0.111	2	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.8175	0.404	2	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.2685	0.112	2	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	117.4229	0.294	7	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4435	0.443	30	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.4809	1.090	28	118.3205	0.648	73	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Hg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Hg<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Hg){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2660	0.329	5	118.2273	0.095	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Hg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Hg<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Hg){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0340	0.000	1	118.2273	0.095	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8785	0.424	2	118.6748	1.098	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7290	0.023	2	118.6748	1.098	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0200	0.000	1	118.6748	1.098	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.7613	1.089	46	118.6748	1.098	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.4595	0.384	2	118.6748	1.098	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.4685	1.364	2	118.6748	1.098	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mg<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mg){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.3085	0.045	2	118.0707	1.744	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mg<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mg){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5950	0.000	1	118.0707	1.744	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.4340	0.407	2	118.1879	0.563	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2765	0.062	2	118.1879	0.563	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9125	0.573	15	118.1879	0.563	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3396	0.802	36	118.1879	0.563	55	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mo){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.0575	0.327	4	118.0575	0.107	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.7050	0.000	1	120.7050	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0215	0.275	2	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2030	0.000	1	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9050	0.585	2	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.1730	0.000	1	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.5820	0.000	1	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.1235	0.077	2	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9280	0.000	1	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.4363	0.232	4	118.1236	0.110	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.4150	0.000	1	119.8370	0.356	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	120.2590	0.000	1	119.8370	0.356	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.0960	0.000	1	119.1370	0.099	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7963	0.098	3	119.1370	0.099	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1703	0.284	7	119.1370	0.099	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.1978	0.328	5	119.1370	0.099	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.6630	0.000	1	119.1370	0.099	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<7>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Os){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.9740	0.000	1	118.9740	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.6145	0.746	2	118.5772	0.590	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8280	0.804	5	118.5772	0.590	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.7116	0.521	5	118.5772	0.590	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.5510	0.000	1	118.3451	0.742	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9220	0.532	4	118.3451	0.742	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2286	0.896	13	118.3451	0.742	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.9137	0.482	10	118.6021	0.475	21	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.4913	0.333	9	118.6021	0.475	21	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<8>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Re<8>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.5425	1.787	2	118.6021	0.475	21	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Rh){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.9100	0.987	2	117.9100	0.974	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	118.1890	0.000	1	118.1615	0.002	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	118.1340	0.000	1	118.1615	0.002	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<10>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.2265	0.040	4	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3080	0.000	1	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<7>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.8440	0.000	1	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.8540	0.000	1	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.5205	0.250	2	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.6120	0.000	1	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4925	0.962	2	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.9586	0.113	7	118.8558	0.193	19	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0550	0.000	1	119.2405	0.069	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	119.4260	0.000	1	119.2405	0.069	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.2600	0.000	1	119.2600	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|H<1>,3|C<3>}	118.8890	0.000	1	118.8890	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Sn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3775	0.103	2	118.5326	0.079	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Sn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.6360	0.335	3	118.5326	0.079	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	118.6245	0.401	2	118.1690	1.272	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	117.9412	1.363	4	118.1690	1.272	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9025	0.226	2	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.8650	0.000	1	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.1230	0.000	1	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.4466	0.520	9	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.4855	0.197	2	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.4977	0.315	4	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.6420	0.000	1	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2755	0.280	21	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0974	0.397	10	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.1504	0.364	8	118.0742	0.220	59	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zr<13>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zr){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,1|N<3>,2|C<3>}	118.0190	0.000	1	118.0190	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	121.7160	0.000	1	121.5203	0.030	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	121.3940	0.000	1	121.5203	0.030	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|P<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	121.4510	0.000	1	121.5203	0.030	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	120.9080	0.000	1	120.8170	0.017	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	120.7260	0.000	1	120.8170	0.017	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|I<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0575	0.428	2	119.0575	0.183	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.7360	0.000	1	120.7360	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Ir<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]Ir){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.4880	0.000	1	118.4880	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4860	0.000	1	116.4860	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ag){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4075	0.134	2	117.4075	0.018	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7330	0.421	3	116.8284	0.188	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9867	0.769	3	116.8284	0.188	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8300	0.136	4	116.8284	0.188	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4343	0.227	3	116.8284	0.188	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Al){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0752	0.410	4	116.8284	0.188	17	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7575	0.120	4	117.6836	0.044	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<7>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6343	0.251	6	117.6836	0.044	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8630	0.139	2	117.4495	0.431	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6600	0.093	4	117.4495	0.431	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5575	0.570	4	117.4495	0.431	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4902	0.806	17	117.4495	0.431	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2510	0.375	4	117.4495	0.431	31	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cr){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6000	0.000	1	116.9770	0.177	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cr){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1620	0.464	3	116.9770	0.177	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cr){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7990	0.000	1	116.9770	0.177	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2172	0.425	6	117.1986	0.153	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0870	0.000	1	117.1986	0.153	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8220	0.000	1	117.2758	0.379	288	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2025	0.045	2	117.2758	0.379	288	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9150	0.000	1	117.2758	0.379	288	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7758	0.240	4	117.2758	0.379	288	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2732	0.627	265	117.2758	0.379	288	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Fe){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5195	0.427	15	117.2758	0.379	288	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0610	0.000	1	118.0882	0.128	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0599	0.393	8	118.0882	0.128	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.3420	0.000	1	118.0882	0.128	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ir){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5648	0.549	4	117.2050	0.593	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ir){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4855	0.715	2	117.2050	0.593	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Li)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<5>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Li){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7830	0.000	1	116.7830	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Mn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.3205	0.432	2	117.5060	0.496	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mn<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Mn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7036	0.521	12	117.5060	0.496	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9489	0.318	18	117.1002	0.276	33	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0830	0.095	2	117.1002	0.276	33	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4779	0.641	11	117.1002	0.276	33	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ni){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.4015	0.169	2	117.1002	0.276	33	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5750	0.000	1	119.4147	0.127	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4935	0.491	2	119.4147	0.127	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0970	0.000	1	119.4147	0.127	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8513	0.630	3	117.4287	0.402	36	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4691	0.621	27	117.4287	0.402	36	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.0825	0.569	2	117.4287	0.402	36	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2930	0.000	1	117.4287	0.402	36	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9175	0.357	2	117.4287	0.402	36	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9190	0.000	1	117.4287	0.402	36	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4918	0.866	5	117.7054	0.545	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7745	0.587	4	117.7054	0.545	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4970	0.000	1	117.7054	0.545	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Re){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7570	0.000	1	116.7570	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ru){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2990	0.000	1	117.3310	0.002	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ru){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3630	0.000	1	117.3310	0.002	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Sn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3923	0.222	7	117.5007	0.136	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Sn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2600	0.000	1	117.5007	0.136	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]V)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|V<5>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]V){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.8445	0.194	4	116.8445	0.038	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1970	0.311	4	117.1754	0.302	32	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2822	0.288	5	117.1754	0.302	32	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.9497	0.303	3	117.1754	0.302	32	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0128	0.610	6	117.1754	0.302	32	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.3570	0.000	1	117.1754	0.302	32	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8038	0.624	4	117.1754	0.302	32	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Zn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3239	0.613	9	117.1754	0.302	32	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2850	0.000	1	118.2850	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<5>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]Cr){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7600	0.000	1	117.9535	0.187	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]Cr){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0403	0.531	4	117.9535	0.187	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<6>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]Cr){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.8000	0.000	1	117.9535	0.187	6	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8185	1.251	2	117.8185	1.565	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.9366	0.422	12	115.9907	0.149	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.9790	0.000	1	115.9907	0.149	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Al<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Al){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.1230	0.338	5	115.9907	0.149	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Bi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Bi<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Bi){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.6057	0.599	3	116.6057	0.358	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]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]O)(N[6]C[6]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0603	0.662	9	119.0603	0.438	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.2970	0.000	1	116.9700	0.078	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<5>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.1670	0.000	1	116.9700	0.078	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.1285	0.210	2	116.9700	0.078	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.8357	0.178	3	116.9700	0.078	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cd<6>,1|O<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.5320	0.000	1	116.9700	0.078	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.0840	0.000	1	116.3239	0.134	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.2640	0.000	1	116.3239	0.134	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	115.5060	0.000	1	116.3239	0.134	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.3498	0.209	9	116.3239	0.134	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.4030	0.000	1	116.3239	0.134	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<6>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1290	0.000	1	116.3239	0.134	14	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.3912	0.090	8	116.5184	0.400	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7548	1.314	4	116.5184	0.400	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1080	0.000	1	116.5184	0.400	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	116.3360	0.000	1	116.5184	0.400	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.1125	0.100	2	116.5184	0.400	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7565	0.606	2	116.5184	0.400	18	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Fe){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.8277	0.326	4	115.8277	0.106	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1753	0.361	19	117.4833	0.378	66	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.5895	0.247	2	117.4833	0.378	66	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6140	0.697	41	117.4833	0.378	66	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.4987	0.275	3	117.4833	0.378	66	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7150	0.000	1	117.4833	0.378	66	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.2460	0.000	1	116.2460	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Li)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<4>,1|O<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Li){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0297	0.236	3	117.0297	0.056	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Mo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Mo){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.2995	0.296	2	116.2995	0.088	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	117.0360	0.000	1	116.4448	0.141	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4610	0.000	1	116.4448	0.141	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4650	0.000	1	116.4448	0.141	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.1310	0.137	2	116.4448	0.141	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4030	0.000	1	118.6125	0.088	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8220	0.000	1	118.6125	0.088	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<9>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Os){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9810	0.338	4	116.9810	0.114	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pb)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pb<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pb){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.5650	0.479	3	116.5650	0.230	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4830	0.000	1	116.7491	1.121	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2060	0.779	2	116.7491	1.121	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.9690	0.000	1	116.7491	1.121	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.1130	0.000	1	116.7491	1.121	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.1335	0.182	2	116.7491	1.121	7	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.3360	0.000	1	117.1905	0.294	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3558	0.598	4	117.1905	0.294	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.2920	0.000	1	117.1905	0.294	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2135	0.489	4	117.1905	0.294	10	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Re){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0190	0.000	1	116.6957	0.796	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Re){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.5340	1.198	2	116.6957	0.796	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.3167	0.260	3	116.8861	0.446	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2965	1.299	2	116.8861	0.446	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7100	0.000	1	116.8861	0.446	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.1980	0.000	1	116.8861	0.446	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.1480	0.000	1	116.8861	0.446	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3760	0.000	1	116.8861	0.446	9	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8880	0.000	1	117.4783	2.997	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.0030	0.000	1	117.4783	2.997	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.0660	0.000	1	117.4783	2.997	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ru){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9560	0.000	1	117.4783	2.997	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sb)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sb){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2090	0.518	2	117.2090	0.268	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.9900	0.485	2	116.2608	0.294	24	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.1115	0.523	4	116.2608	0.294	24	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4523	0.111	3	116.2608	0.294	24	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.9554	0.846	5	116.2608	0.294	24	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Sn){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4699	0.416	10	116.2608	0.294	24	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4017	0.278	6	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.5435	0.586	2	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<4>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.4330	0.257	3	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.5848	0.326	5	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.5405	0.083	2	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.7120	0.000	1	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<5>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.6040	0.000	1	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Zn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Zn){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.8300	0.209	2	116.5353	0.216	22	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0479	0.370	11	118.0479	0.137	11	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<6>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Fe){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8117	0.328	3	118.8117	0.107	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8815	0.281	2	117.9480	0.082	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0145	0.387	2	117.9480	0.082	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.4340	0.000	1	117.7495	0.184	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0002	0.230	6	117.7495	0.184	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7440	0.000	1	117.7495	0.184	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5265	0.016	2	117.7495	0.184	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,1|P<5>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.8810	0.378	2	117.7495	0.184	12	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4860	0.000	1	118.4860	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ru){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.1770	0.000	1	118.4813	0.117	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(N[6]C[6]Ru){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.5247	0.344	7	118.4813	0.117	8	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]O){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.5560	0.000	1	118.5560	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<4>,1|S<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Ag){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5380	0.935	2	117.5380	0.874	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<4>,1|S<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Cu){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7277	0.484	3	117.7277	0.235	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|S<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Pd){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6280	0.000	1	117.6280	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,1|S<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5890	0.000	1	117.6660	0.041	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,1|S<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7045	0.269	2	117.6660	0.041	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<6>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Re){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.4300	0.000	1	116.4300	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|S<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Ru){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9740	0.000	1	117.9243	0.010	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(N[6]C[6]Ru){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9077	0.115	3	117.9243	0.010	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,1|Si<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Ir){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.6220	0.873	4	118.6220	0.762	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<4>,1|Si<6>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4180	0.164	3	118.5878	0.079	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<6>,1|Si<5>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Ni){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8425	0.211	2	118.5878	0.079	5	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,1|Si<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Pt){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4680	0.255	2	118.4680	0.065	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,1|Si<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(N[6]C[6]Rh){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6200	0.651	2	117.6200	0.423	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir){1|C<4>,1|H<1>,2|C<3>,2|I<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|I<1>,1|N<3>,2|C<3>}	116.1580	0.000	1	116.1580	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Ni<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni){2|C<3>,2|H<1>,2|I<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	115.3180	0.000	1	115.3180	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){2|C<3>,2|H<1>,2|I<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	116.6163	0.837	3	116.6163	0.701	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.6020	0.079	3	118.6020	0.006	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.1433	0.217	3	118.2223	0.056	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.4590	0.000	1	118.2223	0.056	4	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.9525	0.247	2	117.9525	0.061	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Co){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.6880	0.000	1	116.6880	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]Ru){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.9980	0.000	1	116.9980	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Co<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Co){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.7960	0.000	1	116.7960	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.8350	0.000	1	118.8350	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.2310	0.000	1	116.3330	0.021	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ir){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.4350	0.000	1	116.3330	0.021	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Os<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Os){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.7470	0.000	1	116.7470	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.3470	1.257	3	116.3470	1.581	3	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ag<3>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ag){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	116.2850	0.000	1	116.2850	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ba)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ba<11>,1|O<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ba){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	116.3570	0.000	1	116.3570	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	117.0990	0.000	1	117.1255	0.001	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	117.1520	0.000	1	117.1255	0.001	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Mg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Mg<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Mg){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	116.7020	0.000	1	116.7020	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	116.9360	0.000	1	116.7670	0.057	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Ni<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Ni){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	116.5980	0.000	1	116.7670	0.057	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]Pt){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	116.5545	0.240	2	116.5545	0.057	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.5010	0.000	1	119.5010	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Cd<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Cd){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	119.8370	0.000	1	119.8370	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Mn<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	118.6830	0.000	1	118.7960	0.026	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Mn<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Mn){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	118.9090	0.000	1	118.7960	0.026	2	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Pb)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]H){1|Pb<4>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(N[6]C[6]Pb){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	118.5220	0.000	1	118.5220	0.000	1	117.7735	1.015	1666	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){2|C<3>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.8860	0.000	1	121.8860	0.000	1	121.8860	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S){1|H<1>,2|N<3>,4|C<3>}	120.0725	0.006	2	120.0725	0.000	2	120.0725	0.000	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	116.9930	0.000	1	116.9930	0.000	1	116.9930	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|C<3>,3|C<4>}	117.2200	0.000	1	117.2200	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	117.6970	0.000	1	117.6970	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O){1|H<1>,1|N<3>,6|C<3>}	119.7290	0.000	1	119.7290	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.4120	0.096	2	118.4120	0.009	2	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.3080	0.000	1	119.0507	0.082	3	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.1030	0.000	1	119.0507	0.082	3	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.7410	0.000	1	119.0507	0.082	3	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	120.8925	0.094	2	120.3334	0.292	5	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	119.9607	0.243	3	120.3334	0.292	5	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.1510	0.000	1	119.6205	0.183	4	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	119.7770	0.357	3	119.6205	0.183	4	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0690	0.000	1	120.0690	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	120.7670	0.000	1	120.7670	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	120.0490	0.000	1	120.5285	0.460	2	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	121.0080	0.000	1	120.5285	0.460	2	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.9360	0.000	1	119.9360	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	119.8560	0.269	6	119.5834	0.157	12	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.6900	0.000	1	119.5834	0.157	12	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	119.1870	0.389	2	119.5834	0.157	12	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	119.3995	0.194	2	119.5834	0.157	12	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	119.0020	0.000	1	119.5834	0.157	12	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.5925	0.278	2	118.8372	0.316	23	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.4550	0.135	6	118.8372	0.316	23	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.6680	0.504	3	118.8372	0.316	23	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	118.7900	0.000	1	118.8372	0.316	23	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	118.9346	0.341	9	118.8372	0.316	23	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,4|C<3>}	119.3090	0.000	1	118.8372	0.316	23	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	120.8260	0.000	1	118.8372	0.316	23	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	122.1710	2.633	3	121.1255	4.378	6	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	120.0610	1.211	2	121.1255	4.378	6	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.1180	0.000	1	121.1255	4.378	6	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(O){1|N<3>,2|C<3>,2|H<1>}	118.8770	0.000	1	118.8770	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.3120	0.000	1	119.5136	0.041	5	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.6140	0.000	1	119.5136	0.041	5	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	119.8090	0.000	1	119.5136	0.041	5	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	119.4720	0.000	1	119.5136	0.041	5	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	119.3610	0.000	1	119.5136	0.041	5	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	119.9490	0.000	1	119.9490	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.1830	0.000	1	120.1830	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	122.7050	0.000	1	122.7050	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){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]O)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	118.7820	0.000	1	118.7820	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	117.4350	0.000	1	117.4350	0.000	1	119.4744	1.294	74	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	119.6420	0.000	1	119.6420	0.000	1	119.8445	0.082	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	120.0470	0.000	1	120.0470	0.000	1	119.8445	0.082	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<3>,2|H<1>,5|C<3>}	123.1230	0.000	1	123.1230	0.000	1	123.1230	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|P<2>,2|C<3>}	120.5610	0.000	1	120.5610	0.000	1	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2432	0.460	5	118.2432	0.212	5	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.3460	0.088	2	119.3460	0.008	2	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9060	0.000	1	119.5938	0.896	10	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.5860	0.057	2	119.5938	0.896	10	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	119.5600	0.182	2	119.5938	0.896	10	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.8690	0.000	1	119.5938	0.896	10	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.9500	0.223	2	119.5938	0.896	10	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.5830	0.000	1	119.5938	0.896	10	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3880	0.000	1	119.5938	0.896	10	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0433	0.185	4	118.9432	0.076	5	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	118.5430	0.000	1	118.9432	0.076	5	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.7510	0.000	1	118.7510	0.000	1	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,3|C<3>}	118.9680	0.000	1	118.9680	0.000	1	119.1537	0.741	25	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7890	0.000	1	120.8910	0.021	2	120.5269	1.804	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.9930	0.000	1	120.8910	0.021	2	120.5269	1.804	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.0235	0.112	2	119.0235	0.013	2	120.5269	1.804	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4570	0.386	2	120.4570	0.149	2	120.5269	1.804	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O){1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	122.9450	0.000	1	122.9450	0.000	1	120.5269	1.804	7	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0860	0.000	1	120.0860	0.000	1	120.0860	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.5575	0.080	6	118.5558	0.114	20	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.0310	0.000	1	118.5558	0.114	20	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.9232	0.254	4	118.5558	0.114	20	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3386	0.306	9	118.5558	0.114	20	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,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]H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.0860	0.000	1	119.0860	0.000	1	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,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]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.0820	0.000	1	118.6348	0.165	5	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.8280	0.191	2	118.6348	0.165	5	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,2|H<1>,3|C<3>}	118.2180	0.018	2	118.6348	0.165	5	118.5914	0.124	26	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	119.7590	0.000	2	119.7590	0.000	2	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.5190	0.000	1	120.5190	0.000	1	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.4440	0.000	1	120.3405	0.021	2	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	120.2370	0.000	1	120.3405	0.021	2	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	119.5920	0.000	1	120.4380	0.537	3	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	120.8610	0.014	2	120.4380	0.537	3	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O){1|N<3>,2|H<1>,3|C<3>}	121.7465	0.971	2	121.7465	0.943	2	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.8870	0.065	2	119.8870	0.004	2	120.4416	0.638	12	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	117.8940	0.000	2	117.8940	0.000	2	117.8940	0.000	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.3360	0.660	2	118.3360	0.436	2	118.7773	0.802	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6600	0.000	1	119.6600	0.000	1	118.7773	0.802	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(N[6]C[6]Ru){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.7100	0.000	1	118.7100	0.000	1	120.0083	2.821	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.4100	0.000	1	119.4100	0.000	1	120.0083	2.821	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	121.9050	0.000	1	121.9050	0.000	1	120.0083	2.821	3	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a]-3:C[6]-3:H-1:	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])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8210	0.000	1	117.8210	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	117.2630	0.000	1	117.2630	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(C[6]C[6]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9060	0.000	1	117.9060	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0120	0.000	1	119.0120	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Au)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Au<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Au){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5460	0.000	1	117.5660	0.001	2	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Au)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Au<5>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Au){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5860	0.000	1	117.5660	0.001	2	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<8>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9490	0.000	1	117.9490	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9785	0.407	2	118.5925	0.468	13	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Os<7>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<3>,2|C<3>}	117.5015	0.172	2	118.5925	0.468	13	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4820	0.000	1	118.5925	0.468	13	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.6576	0.524	8	118.5925	0.468	13	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.1010	0.697	2	117.4702	0.598	27	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4458	0.429	13	117.4702	0.598	27	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.3717	1.014	3	117.4702	0.598	27	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<7>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4020	0.257	6	117.4702	0.598	27	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6340	0.190	2	117.4702	0.598	27	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<8>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.9040	0.000	1	117.4702	0.598	27	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ni<5>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.4793	0.463	4	119.4793	0.215	4	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<7>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Os){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9410	0.000	1	117.9410	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2396	0.480	36	117.2054	0.213	41	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<5>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0395	0.274	2	117.2054	0.213	41	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<6>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9060	0.052	3	117.2054	0.213	41	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|P<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5320	0.000	1	117.6348	0.746	86	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.6968	0.843	64	117.6348	0.746	86	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2593	0.695	15	117.6348	0.746	86	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<5>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5460	0.000	1	117.6348	0.746	86	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pt<6>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.2060	0.580	5	117.6348	0.746	86	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8740	0.000	1	118.9338	1.757	4	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7945	0.008	2	118.9338	1.757	4	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<8>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Rh){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.2720	0.000	1	118.9338	1.757	4	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<5>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0678	0.231	4	118.4165	0.537	8	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8380	0.390	2	118.4165	0.537	8	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<7>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.5620	0.000	1	118.4165	0.537	8	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<9>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8230	0.000	1	118.4165	0.537	8	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	121.4900	0.000	1	121.4900	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]B)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]B){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.3290	0.082	2	120.3290	0.007	2	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5835	0.394	2	119.5835	0.155	2	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.9780	0.000	1	116.9780	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.5589	0.310	12	117.8867	0.470	98	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	117.1910	0.157	2	117.8867	0.470	98	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7166	0.430	5	117.8867	0.470	98	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0409	0.647	77	117.8867	0.470	98	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9150	0.000	1	117.8867	0.470	98	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.1570	0.000	1	117.8867	0.470	98	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]C[6]Si)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<5>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.7930	0.000	1	116.7930	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]In[4]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[4]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	115.8360	0.000	1	115.8360	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[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[6]In[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|In<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]In[6]C[6]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4780	0.000	1	117.4780	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]O)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.3590	0.000	1	118.3590	0.000	1	117.7895	0.796	299	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[4,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[4,6]Ge[4,4]C[4,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]N[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Ge<3>,2|C<3>,3|H<1>}	C[6,6a](N[4,6]Ge[4,4]C[4,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9205	0.325	2	117.9205	0.105	2	117.9205	0.105	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3465	0.849	2	119.3465	0.721	2	119.3465	0.721	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,4|C<3>}	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6,6a](N[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.2905	0.829	2	116.2905	0.688	2	116.2905	0.688	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.8760	0.000	1	118.8760	0.000	1	120.3412	0.798	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.4450	0.000	1	120.4450	0.000	1	120.3412	0.798	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.2140	0.000	1	120.6815	0.457	4	120.3412	0.798	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.5855	0.977	2	120.6815	0.457	4	120.3412	0.798	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<3>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.3410	0.000	1	120.6815	0.457	4	120.3412	0.798	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O){1|H<1>,1|N<3>,3|C<3>}	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	P[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](P[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6a](P[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<3>,3|C<3>}	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|S<1>,2|O<1>,3|N<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	120.1100	0.000	2	120.1100	0.000	2	120.1100	0.000	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(C[6]C[6]O)	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O){5|C<3>}	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]C){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0010	0.000	1	119.0010	0.000	1	118.6580	0.235	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3150	0.000	1	118.3150	0.000	1	118.6580	0.235	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O){1|C<4>,4|C<3>}	117.3835	0.305	2	117.3835	0.093	2	117.3835	0.093	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>}	115.8075	0.568	6	115.8075	0.322	6	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.5550	0.000	1	117.5550	0.000	1	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ag<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ag){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.7082	0.152	4	118.7082	0.023	4	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Bi)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Bi<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Bi){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3978	0.358	4	118.3978	0.128	4	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cd){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.2175	0.136	2	118.2175	0.019	2	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6295	0.022	2	117.6462	0.368	20	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.5989	0.663	16	117.6462	0.368	20	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<7>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Co){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0410	0.215	2	117.6462	0.368	20	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cr<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cr){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.8730	0.289	4	117.8730	0.084	4	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0614	0.376	12	117.8282	0.312	22	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.5483	0.629	10	117.8282	0.312	22	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Eu)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Eu<13>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Eu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.5640	0.520	3	118.5640	0.271	3	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Fe){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.7087	0.196	14	117.7087	0.039	14	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.1488	0.436	4	117.8931	0.274	8	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6375	0.525	4	117.8931	0.274	8	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Mn){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.8536	0.578	5	117.8536	0.334	5	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.6045	1.307	2	117.2703	0.702	6	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ni){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6033	0.397	4	117.2703	0.702	6	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Os)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Os<9>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Os){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.1350	0.649	2	118.1350	0.421	2	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Pd){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.7650	0.376	2	117.7650	0.142	2	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Re){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0007	0.563	9	118.0007	0.317	9	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Rh){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.1585	0.688	4	118.0074	0.409	12	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Rh){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0280	0.837	4	118.0074	0.409	12	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Rh)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Rh<8>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Rh){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.8358	0.505	4	118.0074	0.409	12	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9426	0.818	17	117.9131	0.670	20	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.8080	0.000	1	117.9131	0.670	20	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.2150	0.485	2	117.9131	0.670	20	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<6>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.4125	0.211	2	118.4125	0.045	2	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Sn)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Sn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Sn){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.8300	0.000	1	117.8300	0.000	1	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Zn){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.2505	1.002	2	117.4963	1.284	6	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Zn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Zn){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.1192	0.503	4	117.4963	1.284	6	117.7865	0.567	153	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	116.9500	0.000	1	117.3247	0.498	3	116.9865	0.790	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	117.5120	0.887	2	117.3247	0.498	3	116.9865	0.790	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	115.9720	0.000	1	115.9720	0.000	1	116.9865	0.790	4	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	115.2680	0.000	1	115.2680	0.000	1	115.2680	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	116.1940	0.000	1	116.1940	0.000	1	116.8380	0.829	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	117.4820	0.000	1	117.4820	0.000	1	116.8380	0.829	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Pt<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.9200	0.000	1	116.9200	0.000	1	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Re<6>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,4|C<3>}	116.6647	0.172	6	116.6647	0.029	6	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Zn<5>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Zn){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,4|C<3>}	116.3740	0.194	2	116.3740	0.038	2	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Al)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Al<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Al){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.1450	0.000	1	117.1450	0.000	1	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.6250	0.000	1	118.6250	0.000	1	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|Cu<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.4825	0.032	2	117.4825	0.001	2	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7960	0.000	1	117.7960	0.000	1	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,5|C<3>}	118.0010	0.000	1	118.0010	0.000	1	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.3857	0.611	3	118.3857	0.374	3	117.2969	0.667	18	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	118.4000	0.030	2	118.4000	0.001	2	118.4000	0.001	2	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|Pt<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]Pt){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.4200	0.000	1	117.4620	1.365	3	118.2205	1.343	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){1|Pt<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]Pt){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9830	1.049	2	117.4620	1.365	3	118.2205	1.343	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|C<3>,2|H<1>,3|N<2>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.0590	0.000	1	118.9790	0.267	3	118.2205	1.343	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.9390	0.724	2	118.9790	0.267	3	118.2205	1.343	6	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	118.5753	0.863	3	119.0063	0.605	6	118.1541	1.056	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	119.4373	0.459	3	119.0063	0.605	6	118.1541	1.056	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){7|C<3>}	118.0500	1.045	2	118.0500	1.092	2	118.1541	1.056	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	116.7685	0.432	2	116.7685	0.187	2	118.1541	1.056	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	117.6208	0.141	4	117.6208	0.020	4	118.1541	1.056	14	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6,6a])(C[6]C[6,6]H)(H)	C[6,6a](N[6,6a]C[6,6a]B[3x6])(C[6,6a]N[6,6]C[6a])(C[6]C[6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6,6a])(C[6]C[6,6]H)(H){1|B<4>,1|N<3>,3|C<3>}	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	118.1850	2.648	8754	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<5>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	122.1570	0.000	1	121.1123	0.970	3	121.1123	0.970	3	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|Co<6>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	120.5900	0.550	2	121.1123	0.970	3	121.1123	0.970	3	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(OH){1|H<1>,6|C<3>}	119.1440	0.000	1	119.1440	0.000	1	119.1440	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){1|C<2>,1|O<1>,2|C<4>,4|C<3>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	120.2922	0.394	6	120.2922	0.155	6	120.2922	0.155	6	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){2|H<1>,5|C<3>}	118.6023	1.031	6	118.6023	1.062	6	118.0957	1.745	8	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NN){2|O<2>,5|C<3>}	116.5760	0.863	2	116.5760	0.744	2	118.0957	1.745	8	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(OCo){1|H<1>,1|N<3>,5|C<3>}	120.3637	0.786	3	120.3637	0.617	3	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OCu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OCu){1|H<1>,1|O<2>,5|C<3>}	121.8170	0.000	1	121.8170	0.000	1	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	120.3088	0.487	5	120.2607	0.204	6	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|O<2>,5|C<3>}	120.0200	0.000	1	120.2607	0.204	6	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OZn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OZn){1|H<1>,1|O<2>,5|C<3>}	121.1570	0.000	1	121.1570	0.000	1	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	121.0330	0.000	1	121.0330	0.000	1	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	119.3713	0.385	3	119.3713	0.149	3	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|N<3>,5|C<3>}	119.9257	1.711	3	119.9257	2.927	3	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OCu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OCu){1|H<1>,1|O<2>,5|C<3>}	118.9330	0.000	1	118.9330	0.000	1	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OFe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OFe){2|O<2>,5|C<3>}	120.0780	1.293	2	120.0780	1.671	2	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(ORu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ORu){1|H<1>,1|O<2>,5|C<3>}	118.4220	0.000	1	118.4220	0.000	1	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OZn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OZn){1|H<1>,1|O<2>,5|C<3>}	119.4330	0.000	1	119.4330	0.000	1	120.0651	0.984	23	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6]){1|H<1>,8|C<3>}	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Au)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H){1|Au<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Au){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	117.5280	0.000	1	117.6720	0.041	2	117.6720	0.041	2	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Au)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]H){1|Au<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Au){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	117.8160	0.000	1	117.6720	0.041	2	117.6720	0.041	2	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	116.4885	0.422	2	116.4270	0.100	3	116.7320	0.439	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	116.3040	0.000	1	116.4270	0.100	3	116.7320	0.439	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	117.6470	0.000	1	117.6470	0.000	1	116.7320	0.439	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	121.4273	0.464	3	120.9215	1.167	4	119.6908	1.408	12	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	119.4040	0.000	1	120.9215	1.167	4	119.6908	1.408	12	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC){1|N<3>,2|H<1>,4|C<3>}	118.9080	0.119	2	118.9080	0.014	2	119.6908	1.408	12	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NH){1|N<3>,2|H<1>,4|C<3>}	119.0510	0.110	2	119.0510	0.012	2	119.6908	1.408	12	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|N<3>,2|H<1>,4|C<3>}	119.1715	0.963	4	119.1715	0.927	4	119.6908	1.408	12	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]S)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC){1|N<3>,2|H<1>,4|C<3>}	118.9480	0.000	1	118.9480	0.000	1	118.9480	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN){1|H<1>,4|C<3>}	116.7720	0.000	1	116.7720	0.000	1	116.7225	0.005	2	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(NN){1|H<1>,4|C<3>}	116.6730	0.000	1	116.6730	0.000	1	116.7225	0.005	2	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|Se<2>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	121.3500	0.000	1	121.3500	0.000	1	121.3500	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN){1|C<4>,1|H<1>,3|C<3>}	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC){1|H<1>,6|C<3>}	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NN){1|H<1>,4|C<3>}	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OB)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OB){1|H<1>,4|C<3>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ag<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC){1|N<3>,2|C<3>,2|H<1>}	117.8425	0.122	2	117.8425	0.015	2	117.4070	0.355	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC){1|N<3>,2|C<3>,2|H<1>}	116.9715	0.540	2	116.9715	0.291	2	117.4070	0.355	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC){1|H<1>,5|C<3>}	119.2155	0.472	2	119.2155	0.222	2	119.5650	0.478	3	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH){1|H<1>,5|C<3>}	120.2640	0.000	1	120.2640	0.000	1	119.5650	0.478	3	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	120.9435	0.074	2	120.9435	0.006	2	120.9760	0.028	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]C){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC){2|H<1>,5|C<3>}	121.0085	0.274	2	121.0085	0.075	2	120.9760	0.028	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	118.9193	0.569	46	118.9080	0.323	47	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,4|C<3>}	118.3910	0.000	1	118.9080	0.323	47	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){2|H<1>,3|C<3>}	117.9595	1.231	2	117.9595	1.516	2	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	120.2460	0.000	1	119.8587	0.082	6	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	119.7812	0.241	5	119.8587	0.082	6	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|C<4>,1|H<1>,3|C<3>}	119.3040	0.396	4	119.3924	0.157	5	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){2|H<1>,3|C<3>}	119.7460	0.000	1	119.3924	0.157	5	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|Cl<1>,1|H<1>,3|C<3>}	119.2430	1.377	2	118.6813	1.895	3	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|H<1>,1|I<1>,3|C<3>}	117.5580	0.000	1	118.6813	1.895	3	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH){1|H<1>,1|N<3>,3|C<3>}	119.3330	0.000	1	119.3330	0.000	1	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,1|S<4>,3|C<3>}	117.3342	0.133	4	117.3342	0.018	4	118.9033	0.595	68	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|H<1>,1|O<1>,3|C<3>}	120.3550	0.059	2	120.3550	0.004	2	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	117.7848	0.772	5	117.7848	0.595	5	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6]){1|H<1>,4|C<3>}	118.0005	0.298	2	118.0005	0.089	2	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(OPd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(OPd){2|H<1>,3|C<3>}	118.8617	1.485	3	118.8617	2.205	3	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCd){2|H<1>,3|C<3>}	119.4770	0.000	1	119.4770	0.000	1	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){2|H<1>,3|C<3>}	120.1460	0.000	1	119.6320	0.528	2	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){1|H<1>,4|C<3>}	119.1180	0.000	1	119.6320	0.528	2	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OIr)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OIr){2|H<1>,3|C<3>}	117.8665	0.619	2	117.8665	0.383	2	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OOs)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OOs){1|C<4>,1|H<1>,3|C<3>}	118.1820	0.000	1	118.1820	0.000	1	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe){1|Br<1>,1|O<2>,3|C<3>}	120.1960	0.000	1	120.1960	0.000	1	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCu){1|C<4>,1|O<2>,3|C<3>}	118.8370	0.000	1	118.8370	0.000	1	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|N<3>,1|O<1>,3|C<3>}	118.4860	0.000	1	118.4860	0.000	1	118.6855	1.241	21	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]){1|H<1>,1|O<1>,3|C<3>}	119.6017	0.056	3	119.6017	0.003	3	119.6017	0.003	3	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC){2|H<1>,3|C<3>}	118.4600	0.341	2	118.4600	0.116	2	118.4600	0.116	2	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	118.1489	0.242	13	118.1489	0.058	13	118.1903	0.078	14	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|Ni<6>,1|H<1>,3|C<3>}	118.7280	0.000	1	118.7280	0.000	1	118.1903	0.078	14	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH){2|H<1>,3|C<3>}	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	119.7807	0.481	3	119.7807	0.231	3	119.7903	0.154	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|N<3>,2|H<1>,4|C<3>}	119.8190	0.000	1	119.8190	0.000	1	119.7903	0.154	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<3>,2|C<3>,2|H<1>}	120.1345	0.264	2	120.1345	0.070	2	120.1345	0.070	2	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo){1|N<3>,2|C<3>,2|H<1>}	121.5885	0.947	2	121.5885	0.896	2	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|H<1>,1|N<3>,2|C<3>}	119.3680	0.065	2	119.3680	0.004	2	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|Cl<1>,1|N<3>,2|C<3>,2|O<1>}	118.9320	0.000	1	118.9320	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	121.5750	0.000	1	121.5750	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC){1|H<1>,2|N<3>,3|C<3>}	118.0030	0.000	1	118.0030	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa){1|N<3>,2|C<3>,2|H<1>}	122.7130	0.266	2	122.7130	0.071	2	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa){1|N<3>,2|C<3>,2|H<1>}	122.1100	0.506	3	122.1100	0.256	3	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo){1|N<3>,2|C<3>,2|H<1>}	122.2310	0.463	3	122.2310	0.214	3	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	121.7068	0.382	5	121.7068	0.146	5	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	119.6970	0.000	1	119.6970	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){1|N<3>,2|C<3>,2|H<1>}	122.7900	0.000	1	122.7900	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|N<3>,2|C<3>,2|H<1>}	122.1030	0.000	1	122.1030	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|C<3>,2|H<1>}	121.9105	0.018	2	121.9105	0.000	2	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	118.2690	0.000	1	118.2690	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.2270	0.000	1	118.5228	0.213	4	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|N<3>,2|C<3>,2|H<1>}	118.6830	0.707	2	118.5228	0.213	4	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|N<3>,3|C<3>}	118.4980	0.000	1	118.5228	0.213	4	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Ir<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	118.3280	0.000	1	118.3280	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	117.6700	0.000	1	117.6700	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Re<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	118.4000	0.000	1	118.4000	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	122.4560	0.000	1	121.1454	0.938	5	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.8178	0.731	4	121.1454	0.938	5	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.8585	0.087	2	120.8585	0.008	2	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|N<3>,3|C<3>}	119.5490	0.000	1	119.5490	0.000	1	120.7212	2.674	41	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(SC){1|N<3>,2|C<3>,2|H<1>}	118.2690	0.168	2	118.2690	0.028	2	118.3658	0.237	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Cl<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|N<3>,2|C<3>,2|H<1>}	119.0300	0.000	1	119.0300	0.000	1	118.3658	0.237	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:S-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|H<1>,1|N<3>,4|C<3>}	117.8950	0.000	1	117.8950	0.000	1	118.3658	0.237	4	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]2){1|Ir<6>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	116.8375	0.762	2	116.8375	0.580	2	116.8375	0.580	2	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	121.6390	0.021	2	121.6390	0.000	2	121.0827	0.900	10	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	120.7310	1.085	3	120.7310	1.177	3	121.0827	0.900	10	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|N<3>,2|C<3>,2|H<1>}	122.1255	0.301	2	122.1255	0.090	2	121.0827	0.900	10	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn){1|N<3>,2|C<3>,2|H<1>}	121.1600	0.000	1	121.1600	0.000	1	121.0827	0.900	10	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|H<1>,2|C<3>,2|N<3>}	119.8720	0.000	1	119.8720	0.000	1	121.0827	0.900	10	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]O){1|C<4>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]F){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|H<1>,2|C<3>,2|N<3>}	120.0730	0.000	1	120.0730	0.000	1	121.0827	0.900	10	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ti)(NO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(C[6]N[6]N){1|Ti<11>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]F){1|Ti<11>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ti)(NO){1|F<1>,1|N<3>,2|C<3>}	117.3590	0.000	1	117.3590	0.000	1	117.3590	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	119.3752	2.119	254	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	117.3380	0.000	1	117.3380	0.000	1	117.3380	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|B<3>,3|H<1>,7|C<3>}	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	120.8685	0.155	2	120.8975	0.035	4	120.8975	0.035	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	120.9265	0.279	2	120.8975	0.035	4	120.8975	0.035	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.5430	0.000	1	118.6240	0.021	3	118.6240	0.021	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.5360	0.000	1	118.6240	0.021	3	118.6240	0.021	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.7930	0.000	1	118.6240	0.021	3	118.6240	0.021	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6,6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.1830	0.000	1	118.1830	0.000	1	118.1830	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Mn<7>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	118.9240	0.000	1	119.1505	0.103	2	119.1505	0.103	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.3770	0.000	1	119.1505	0.103	2	119.1505	0.103	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.4180	0.273	2	120.4180	0.074	2	120.4180	0.074	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.2635	0.090	2	119.2635	0.008	2	119.2635	0.008	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ir)(C[5a]N[5a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Ir)(C[5a]N[5a]2){1|H<1>,1|N<2>,5|C<3>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|N<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.8690	0.000	1	119.8690	0.000	1	119.3075	0.631	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Pt)(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.7460	0.000	1	118.7460	0.000	1	119.3075	0.631	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cu)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cu){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	118.8155	0.337	2	118.8155	0.114	2	118.8155	0.114	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ag<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ag){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.8431	0.266	8	117.8431	0.071	8	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Co<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.1025	0.262	6	117.1025	0.069	6	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.2914	0.522	10	117.6168	0.318	18	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	118.0235	0.283	8	117.6168	0.318	18	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	116.1580	0.018	2	116.1580	0.000	2	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Hg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Hg<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Hg){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.6227	0.224	4	117.6800	0.228	6	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Hg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Hg<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Hg){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	117.7945	0.974	2	117.6800	0.228	6	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	117.8425	0.336	2	117.8425	0.113	2	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Mo<6>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mo){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	118.2470	0.226	2	118.2470	0.051	2	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ni<3>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.6705	0.265	2	117.6705	0.070	2	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Os<6>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Os){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	118.0168	1.485	4	118.0168	2.206	4	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.7562	0.501	4	117.7429	0.388	18	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	117.7391	0.670	14	117.7429	0.388	18	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Re<6>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.4075	0.357	4	118.4075	0.127	4	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	117.7015	0.613	2	117.8185	0.146	4	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	117.9355	0.083	2	117.8185	0.146	4	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Sn<6>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Sn){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	118.4165	0.035	2	118.4165	0.001	2	117.7122	0.428	78	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	120.6924	0.246	5	120.6924	0.060	5	120.6924	0.060	5	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|H<1>,7|C<3>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	119.6280	0.396	20	119.6280	0.157	20	119.6280	0.157	20	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5a,6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5a,6]2){2|H<1>,2|N<3>,7|C<3>}	120.1020	0.000	1	120.1020	0.000	1	118.2789	0.541	9	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	118.3030	0.141	4	118.0510	0.084	8	118.2789	0.541	9	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	117.7990	0.079	4	118.0510	0.084	8	118.2789	0.541	9	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OCo2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OCo2){2|O<3>,5|C<3>}	118.0150	0.856	2	118.0150	0.732	2	118.2412	0.211	6	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2){2|O<3>,5|C<3>}	118.3605	0.404	2	118.3605	0.163	2	118.2412	0.211	6	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(ONi2){2|O<2>,5|C<3>}	118.3480	0.079	2	118.3480	0.006	2	118.2412	0.211	6	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]N[6]Co)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Co<6>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Co<6>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]N[6]Co){1|Co<6>,2|H<1>,5|C<3>}	116.7015	0.373	2	116.7015	0.139	2	116.7015	0.139	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|Mo<6>,3|H<1>,5|C<3>}	122.0425	0.247	2	122.0425	0.061	2	122.0425	0.061	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:P[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(P[6]C[6]Mo){4|H<1>,5|C<3>}	123.3295	0.421	2	123.3295	0.177	2	123.3295	0.177	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|Rh<6>,1|H<1>,2|C<4>,2|N<3>,5|C<3>}	121.2990	0.000	1	121.2990	0.000	1	121.2990	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2){1|Rh<4>,1|H<1>,1|N<2>,1|N<3>,2|C<4>,5|C<3>}	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	118.6040	0.000	1	118.6040	0.000	1	117.9697	0.328	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]N[6]O){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	117.6525	0.230	2	117.6525	0.053	2	117.9697	0.328	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C){2|H<1>,7|C<3>}	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N){1|N<3>,2|H<1>,6|C<3>}	119.4690	0.000	1	119.4690	0.000	1	118.3823	0.888	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(N[6]C[6]Ir){2|H<1>,5|C<3>}	117.8390	0.071	2	117.8390	0.005	2	118.3823	0.888	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O){3|C<3>,4|C<4>,4|H<1>}	119.0970	0.000	1	119.0970	0.000	1	119.6565	0.626	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H){3|C<3>,4|C<4>,4|H<1>}	120.2160	0.000	1	120.2160	0.000	1	119.6565	0.626	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6,6,6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,9|C<3>}	117.6090	0.020	2	117.6090	0.000	2	117.6090	0.000	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){2|F<1>,2|H<1>,7|C<3>}	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	118.6780	0.000	1	118.6780	0.000	1	120.2864	2.672	8	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	120.3240	0.000	1	120.8512	0.162	4	120.2864	2.672	8	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	121.0270	0.239	3	120.8512	0.162	4	120.2864	2.672	8	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	118.2480	0.000	1	118.2480	0.000	1	120.2864	2.672	8	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.8310	0.000	1	118.8310	0.000	1	120.2864	2.672	8	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	123.1290	0.000	1	123.1290	0.000	1	120.2864	2.672	8	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]C[6]Pd){3|H<1>,6|C<3>}	117.8090	0.231	2	117.8090	0.053	2	117.2712	0.640	5	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(N[6]C[6]Ir){2|H<1>,6|C<3>}	116.6890	1.114	2	116.6890	1.242	2	117.2712	0.640	5	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Co<6>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Co){1|C<4>,2|H<1>,5|C<3>}	117.3600	0.000	1	117.3600	0.000	1	117.2712	0.640	5	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,7|C<3>}	119.3590	0.000	1	120.1003	0.263	7	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	119.6910	0.000	1	120.1003	0.263	7	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	120.3304	0.387	5	120.1003	0.263	7	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C){2|H<1>,8|C<3>}	119.4900	0.000	1	119.4900	0.000	1	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|O<1>,3|H<1>,5|C<3>}	121.3850	0.000	1	121.3850	0.000	1	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	120.9047	0.156	3	120.5001	0.174	8	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,7|C<3>}	120.1365	0.174	4	120.5001	0.174	8	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	120.7410	0.000	1	120.5001	0.174	8	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H){1|O<1>,2|H<1>,6|C<3>}	117.7490	0.000	1	117.7490	0.000	1	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){4|H<1>,5|C<3>}	117.9397	0.344	3	117.9397	0.119	3	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C){3|H<1>,5|C<3>}	119.1320	0.000	1	119.1320	0.000	1	119.8308	1.200	22	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	119.8670	0.000	1	119.8670	0.000	1	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H){2|H<1>,7|C<3>}	118.1860	0.000	1	118.1860	0.000	1	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|O<2>,2|H<1>,6|C<3>}	119.1400	0.000	1	119.1400	0.000	1	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cu<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu){1|N<3>,2|H<1>,6|C<3>}	118.5625	0.203	2	118.5625	0.041	2	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	118.0540	0.068	2	118.0540	0.005	2	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|I<1>,2|H<1>,6|C<3>}	119.0580	0.000	1	119.6537	0.398	3	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	120.3140	0.000	1	119.6537	0.398	3	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){2|H<1>,7|C<3>}	119.5890	0.000	1	119.6537	0.398	3	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){1|P<4>,2|H<1>,6|C<3>}	118.8923	2.236	3	118.4578	2.892	5	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd){2|H<1>,6|C<3>}	117.8060	0.389	2	118.4578	2.892	5	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Zn<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]Zn){1|O<2>,2|H<1>,6|C<3>}	118.3495	0.100	2	118.3495	0.010	2	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	119.1370	0.000	1	119.1370	0.000	1	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	118.0201	0.799	22	118.1073	0.767	27	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|F<1>,2|H<1>,5|C<3>}	117.9850	0.498	2	118.1073	0.767	27	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Ir){3|H<1>,5|C<3>}	118.8277	1.503	3	118.1073	0.767	27	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){2|Br<1>,2|H<1>,5|C<3>}	119.4820	0.000	1	119.4820	0.000	1	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){1|F<1>,2|H<1>,5|C<3>}	117.4870	0.369	2	117.5000	0.999	5	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Pt){3|H<1>,5|C<3>}	117.5087	1.389	3	117.5000	0.999	5	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Fe<5>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Fe<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Fe){1|Fe<5>,3|H<1>,5|C<3>}	117.9100	0.000	1	117.9100	0.000	1	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]Ir){2|H<1>,5|C<3>}	117.1157	0.175	3	117.1157	0.031	3	118.2299	1.034	55	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(N[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H){1|Ru<6>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ru)(N[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	118.4390	0.000	1	118.4390	0.000	1	117.9725	0.435	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	117.5060	0.000	1	117.5060	0.000	1	117.9725	0.435	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|H<1>,5|C<3>}	118.1030	0.000	1	118.1030	0.000	1	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	119.6210	0.000	1	119.6210	0.000	1	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.3475	0.121	2	118.3997	0.015	3	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.5040	0.000	1	118.3997	0.015	3	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	117.8560	0.000	1	117.5340	0.115	3	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<1>,3|H<1>,4|C<3>}	117.3730	0.272	2	117.5340	0.115	3	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<6>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	118.3160	0.154	2	118.3160	0.024	2	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	119.1040	0.000	1	119.1040	0.000	1	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	119.7440	0.000	1	119.1180	0.784	2	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	118.4920	0.000	1	119.1180	0.784	2	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	119.2720	0.486	2	119.2720	0.237	2	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	119.8792	0.217	4	119.8543	0.034	6	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|C<3>,5|H<1>}	119.8045	0.141	2	119.8543	0.034	6	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,6|C<3>}	119.2550	0.000	1	119.7092	0.294	4	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,5|H<1>}	119.5650	0.286	2	119.7092	0.294	4	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,5|H<1>}	120.4520	0.000	1	119.7092	0.294	4	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	116.6090	0.000	1	116.8300	0.046	3	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	116.8450	0.000	1	116.8300	0.046	3	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]N[6a]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,4|C<3>}	117.0360	0.000	1	116.8300	0.046	3	118.8034	1.175	28	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	119.1260	0.000	1	119.1260	0.000	1	119.1260	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|N<3>,2|H<1>,6|C<3>}	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Cu)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]Cu)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	118.4685	0.196	2	118.4685	0.038	2	118.4685	0.038	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	117.5740	0.040	2	118.4370	0.502	8	118.6833	0.215	43	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	118.7247	0.553	6	118.4370	0.502	8	118.6833	0.215	43	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(COO){1|N<3>,2|H<1>,4|C<3>}	118.6825	0.336	32	118.6825	0.113	32	118.6833	0.215	43	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN){1|H<1>,1|N<3>,5|C<3>}	119.2620	0.000	1	119.2620	0.000	1	118.6833	0.215	43	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]C){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO){1|H<1>,1|N<3>,5|C<3>}	119.3915	0.414	2	119.3915	0.171	2	118.6833	0.215	43	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|N<3>,2|H<1>,8|C<3>}	115.3497	0.767	6	115.3497	0.588	6	117.6821	4.550	18	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	118.3280	1.353	2	118.8483	2.314	12	117.6821	4.550	18	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	116.1290	0.259	2	118.8483	2.314	12	117.6821	4.550	18	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	119.6581	0.652	8	118.8483	2.314	12	117.6821	4.550	18	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[5a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a]){1|N<3>,2|O<2>,7|C<3>}	118.3800	0.850	2	118.3800	0.722	2	118.3800	0.722	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|N<3>,3|H<1>,7|C<3>}	119.7825	0.235	4	119.7825	0.055	4	119.7825	0.055	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	119.5934	0.948	87	119.5934	0.899	87	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|P<3>,3|H<1>,6|C<3>}	119.8303	0.294	4	119.8203	0.139	24	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	119.9985	0.088	10	119.8203	0.139	24	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	119.6843	0.584	6	119.8203	0.139	24	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.5685	0.397	4	119.8203	0.139	24	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	120.0765	0.342	2	120.0335	0.088	4	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.9905	0.375	2	120.0335	0.088	4	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	118.4975	0.524	2	118.4975	0.275	2	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	119.1055	0.049	2	119.1055	0.002	2	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	121.0095	0.008	2	120.6570	0.167	4	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,7|C<3>}	120.3045	0.059	2	120.6570	0.167	4	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|O<2>,6|C<3>}	119.4113	0.111	6	119.4113	0.012	6	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	118.7640	0.000	1	118.7640	0.000	1	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,4|O<2>,6|C<3>}	119.7515	0.006	2	119.7515	0.000	2	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,2|O<2>,6|C<3>}	118.1000	0.027	2	118.1000	0.001	2	119.6210	0.724	134	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	119.1095	0.169	2	118.9799	0.759	15	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	118.7680	0.346	2	118.9799	0.759	15	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	118.9948	1.017	11	118.9799	0.759	15	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	119.5300	0.000	1	118.9340	0.251	59	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	118.9237	0.499	58	118.9340	0.251	59	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHN){1|N<3>,2|H<1>,4|C<3>}	118.4150	1.479	2	118.4150	2.188	2	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH){1|H<1>,1|N<3>,4|C<3>}	118.0810	0.000	1	118.0810	0.000	1	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Pd)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NHH){1|N<3>,2|H<1>,4|C<3>}	119.0380	0.130	2	119.0380	0.017	2	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]Rh)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]Rh){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Rh<8>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NRhH){1|H<1>,1|N<3>,4|C<3>}	120.8140	0.000	1	120.8140	0.000	1	118.9450	0.408	80	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[3]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>,3|N<3>}	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]S[6]C){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]S[6])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.3215	0.285	2	122.3215	0.081	2	122.3215	0.081	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	118.5035	0.281	2	118.5035	0.079	2	118.5035	0.079	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(C[6a]C[6a]2){2|N<3>,3|H<1>,4|C<3>}	120.3170	0.000	1	120.3170	0.000	1	120.6080	0.141	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	120.2510	0.000	1	120.2510	0.000	1	120.6080	0.141	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]Si)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	120.9370	0.000	1	120.9370	0.000	1	120.6080	0.141	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H){1|H<1>,6|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(C[6a]C[6a]2){1|N<2>,2|N<3>,3|H<1>,5|C<3>}	120.9270	0.000	1	120.9270	0.000	1	120.6080	0.141	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO){1|H<1>,1|N<2>,3|C<3>}	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]Os)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NOsH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]Os)(C[6]C[6]N){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|Os<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NOsH){4|C<3>}	121.3020	0.000	1	121.3020	0.000	1	121.9360	0.804	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]Os)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NOsH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]Os)(C[6]C[6]N){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|Cl<1>,1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(NOsH){4|C<3>}	122.5700	0.000	1	122.5700	0.000	1	121.9360	0.804	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH){1|H<1>,6|C<3>}	120.5200	0.520	2	120.5200	0.271	2	119.1033	6.156	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF){1|H<1>,4|C<3>}	116.2700	0.000	1	116.2700	0.000	1	119.1033	6.156	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO){1|N<3>,2|C<3>,2|H<1>}	117.9660	0.000	1	117.9660	0.000	1	117.9660	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H){2|H<1>,3|N<3>,4|C<3>}	117.1520	0.000	1	117.1520	0.000	1	117.1520	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO){1|H<1>,5|C<3>}	117.6310	0.000	1	117.6310	0.000	1	117.6895	0.007	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	117.7480	0.000	1	117.7480	0.000	1	117.6895	0.007	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	116.4030	0.000	1	116.4030	0.000	1	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|H<1>,1|O<2>,4|C<3>}	119.0430	0.000	1	119.0430	0.000	1	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|H<1>,1|O<1>,3|C<3>}	120.0345	0.224	2	120.0345	0.050	2	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2){2|H<1>,3|C<3>}	118.7620	0.000	1	118.7620	0.000	1	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|Si<4>,1|H<1>,3|C<3>}	118.6330	0.000	1	118.9370	0.131	62	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	118.9420	0.363	61	118.9370	0.131	62	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	118.1700	1.047	2	118.1700	1.095	2	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC){2|H<1>,3|C<3>}	119.8080	0.000	1	119.8080	0.000	1	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	118.2880	0.000	1	118.2880	0.000	1	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){2|H<1>,3|C<3>}	119.8310	0.000	1	119.8310	0.000	1	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O){1|H<1>,3|C<3>}	118.9595	0.316	4	118.9595	0.100	4	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|O<2>,3|C<3>}	119.3465	0.463	4	119.3465	0.214	4	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	116.6440	0.000	1	116.6440	0.000	1	118.9199	0.350	81	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	118.4220	0.000	1	118.4220	0.000	1	119.3958	1.109	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O){2|H<1>,7|C<3>}	118.9500	0.000	1	118.9500	0.000	1	119.3958	1.109	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	119.3882	0.722	4	119.4894	1.526	8	119.3958	1.109	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	119.5905	1.735	4	119.4894	1.526	8	119.3958	1.109	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	119.7310	0.280	2	119.7310	0.078	2	119.3958	1.109	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H){1|H<1>,1|O<1>,3|C<3>}	119.2770	0.000	1	119.2770	0.000	1	119.0710	0.085	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NRh2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]N){1|C<2>,1|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NRh2){1|N<3>,3|C<3>}	118.8650	0.000	1	118.8650	0.000	1	119.0710	0.085	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CNO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CNO){2|H<1>,3|C<3>}	117.4840	0.621	2	117.4840	0.385	2	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(COO){2|H<1>,3|C<3>}	116.7360	0.000	1	116.7360	0.000	1	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cu)(COO){2|H<1>,3|C<3>}	116.9905	0.165	2	116.9905	0.027	2	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Fe<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(COO){2|H<1>,3|C<3>}	117.1380	0.000	1	117.1380	0.000	1	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(COO){2|H<1>,3|C<3>}	116.9690	0.000	1	116.9690	0.000	1	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH){2|H<1>,3|C<3>}	119.7620	0.000	1	119.7620	0.000	1	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(COO){2|H<1>,3|C<3>}	116.9220	0.000	1	116.9220	0.000	1	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CNO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CNO){2|H<1>,3|C<3>}	118.0235	0.227	2	118.0235	0.052	2	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Re)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Re<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Re)(COO){2|H<1>,3|C<3>}	117.0340	0.000	1	117.0340	0.000	1	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Tc)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Tc<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Tc)(COO){2|H<1>,3|C<3>}	117.5560	0.010	2	117.5560	0.000	2	117.4764	0.630	14	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Fe<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Fe)(NC[6]H){2|H<1>,3|C<3>}	117.7640	0.000	1	117.7640	0.000	1	117.2592	1.102	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	118.4395	1.005	2	118.4395	1.010	2	117.2592	1.102	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2){2|H<1>,3|C<3>}	118.8080	0.000	1	118.8080	0.000	1	117.2592	1.102	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	116.2517	0.201	3	116.2517	0.040	3	117.2592	1.102	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NHN){1|H<1>,3|C<3>}	117.0837	0.924	3	117.0837	0.853	3	117.2592	1.102	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){1|H<1>,3|C<3>}	116.3960	0.000	1	116.8265	0.371	2	117.2592	1.102	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Ni)(NHN){2|H<1>,3|C<3>}	117.2570	0.000	1	116.8265	0.371	2	117.2592	1.102	12	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]2){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	119.8795	0.280	4	119.8795	0.079	4	119.8795	0.079	4	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]C){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	118.3115	1.184	2	118.3115	1.403	2	118.3115	1.403	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<4>,3|C<3>}	115.5570	0.000	1	115.5570	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.5030	0.000	1	116.5030	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|N<3>,3|C<3>}	119.3615	0.023	2	119.3615	0.001	2	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	119.9771	0.187	7	119.9771	0.035	7	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C){1|N<3>,2|C<3>,2|H<1>}	119.7610	0.000	1	119.7610	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	116.9450	0.000	1	116.9450	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2){1|N<3>,2|C<3>,2|H<1>}	118.0720	0.353	3	118.0720	0.124	3	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	117.0520	0.072	2	117.0520	0.005	2	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN){1|N<3>,2|C<3>,2|H<1>}	118.3391	0.190	10	118.3391	0.036	10	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.1550	0.000	1	117.1451	0.466	10	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|I<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.3270	0.000	1	117.1451	0.466	10	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.4940	0.000	1	117.1451	0.466	10	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.5490	0.000	1	117.1451	0.466	10	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	117.6543	0.205	6	117.1451	0.466	10	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	117.6350	0.543	2	117.6350	0.295	2	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Mn){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	117.5920	0.342	2	117.5920	0.117	2	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	118.7000	0.000	1	118.7000	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Os<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Os){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	118.3845	0.545	2	118.3845	0.297	2	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	117.5590	0.000	1	117.5590	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	118.3790	0.000	1	118.3790	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	117.3857	0.390	3	117.3857	0.152	3	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Re<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Re){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	118.0840	0.444	3	118.0840	0.197	3	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	116.7870	0.000	1	116.7870	0.000	1	118.0657	1.213	54	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	119.9570	0.082	2	119.9570	0.007	2	119.9570	0.007	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	118.6570	0.285	4	118.6570	0.081	4	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	118.6355	0.146	2	118.6355	0.021	2	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	117.5560	0.000	1	117.5560	0.000	1	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	118.9877	0.061	3	118.9235	0.019	4	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	118.7310	0.000	1	118.9235	0.019	4	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9950	0.000	1	118.3667	0.111	3	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	118.5525	0.124	2	118.3667	0.111	3	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.3780	0.119	2	118.5430	0.047	4	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	118.7080	0.130	2	118.5430	0.047	4	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	118.1860	0.373	2	118.0180	0.154	3	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	117.6820	0.000	1	118.0180	0.154	3	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	116.6145	0.145	2	116.4970	0.052	3	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	116.2620	0.000	1	116.4970	0.052	3	118.2486	0.614	24	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	118.8993	0.422	3	118.8993	0.178	3	118.8993	0.178	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|S<1>,2|O<1>,3|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|C<3>,1|O<1>,1|S<1>,2|N<3>}	118.8720	0.000	2	118.8720	0.000	2	118.8720	0.000	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	118.9100	0.000	1	118.9100	0.000	1	118.9100	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	118.0120	0.000	1	118.0120	0.000	1	118.0120	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]C){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]H)(C[6a]O[6a]O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O){2|C<4>,4|C<3>}	118.4990	0.000	1	118.4990	0.000	1	118.4990	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	117.3960	0.000	1	117.3960	0.000	1	117.1965	0.080	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	116.9970	0.000	1	116.9970	0.000	1	117.1965	0.080	2	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|O<2>,2|N<3>,8|C<3>}	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]Pd)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C){1|Pd<4>,1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]Pd){7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHN){1|H<1>,1|N<3>,5|C<3>}	116.5860	0.000	1	116.5860	0.000	1	116.7057	0.013	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]Pd)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]C){1|Pd<4>,1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]Pd){7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CHO){1|H<1>,1|N<3>,5|C<3>}	116.7655	0.064	2	116.7655	0.004	2	116.7057	0.013	3	118.7962	1.500	812	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H){5|H<1>,6|C<3>}	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(SiC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(SiC3){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	120.2035	0.545	2	120.2035	0.297	2	120.2035	0.297	2	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ti<9>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]TiO){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	121.3925	0.351	2	121.3925	0.124	2	121.1770	0.201	3	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|P<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6]C[6]HP){2|H<1>,6|C<3>}	120.7460	0.000	1	120.7460	0.000	1	121.1770	0.201	3	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	120.0500	0.229	2	120.0500	0.052	2	119.9835	0.162	4	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|N<3>,2|H<1>,4|C<3>}	119.9170	0.645	2	119.9170	0.416	2	119.9835	0.162	4	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6,6a](C[4,6]B[4,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[4,6]C[6a])(SiC3)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[4,6]B[4,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[4,6]C[6a])(SiC3){1|H<1>,1|P<4>,6|C<3>}	120.2890	0.000	1	120.2890	0.000	1	120.2890	0.000	1	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3){1|H<1>,4|C<3>}	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]C[6a])(SiC3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]Si){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5,6]C[6a])(SiC3){1|H<1>,1|N<3>,6|C<3>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	120.0970	0.000	1	120.0970	0.000	1	118.9840	0.564	9	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|Cu<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3){1|H<1>,4|C<3>}	119.1792	0.298	4	119.1792	0.089	4	118.9840	0.564	9	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|Re<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN){1|H<1>,4|C<3>}	118.5105	0.808	4	118.5105	0.653	4	118.9840	0.564	9	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cd<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.7542	0.369	4	118.7542	0.136	4	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cd<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cd){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.0320	0.474	2	118.0320	0.224	2	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Co<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.0030	0.200	4	118.0030	0.040	4	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	117.7585	0.182	2	117.7585	0.033	2	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<10>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	117.4160	0.000	1	117.9443	0.487	3	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.2085	0.745	2	117.9443	0.487	3	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cr){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	117.4410	0.000	1	117.4410	0.000	1	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	118.4472	0.660	4	118.6157	0.312	12	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.6210	0.541	6	118.6157	0.312	12	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.9365	0.582	2	118.6157	0.312	12	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	117.8095	0.374	2	117.9762	0.093	4	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Cu){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.1430	0.165	2	117.9762	0.093	4	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Fe<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.6713	1.631	8	118.6713	2.661	8	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Fe){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	117.8355	0.353	2	117.8355	0.125	2	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	117.7500	0.301	2	117.7500	0.091	2	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Mn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Mn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.6205	0.729	12	118.6205	0.531	12	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ni){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.3528	0.789	52	118.3528	0.622	52	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	117.0740	0.000	1	118.0740	0.680	4	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.4073	0.594	3	118.0740	0.680	4	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Re<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Re){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.1520	0.647	6	118.1520	0.419	6	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Zn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	119.3200	0.690	2	119.3200	0.476	2	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Zn){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.3865	0.156	2	118.3865	0.024	2	118.3617	0.633	122	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|F<1>,1|O<1>,3|C<3>}	119.1470	0.078	2	119.1470	0.006	2	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	118.9770	0.000	1	118.9770	0.000	1	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	118.8315	0.103	2	118.6710	0.083	3	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	118.3500	0.000	1	118.6710	0.083	3	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,4|C<3>}	119.0720	0.000	1	119.0720	0.000	1	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	118.1580	0.000	1	118.1580	0.000	1	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH){1|H<1>,5|C<3>}	119.5760	0.000	1	119.5760	0.000	1	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,3|C<3>}	120.7670	0.605	4	120.7670	0.366	4	119.4737	1.021	13	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO){1|O<3>,2|H<1>,6|C<3>}	119.8342	0.782	6	119.8784	0.760	39	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<13>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO){1|O<3>,2|H<1>,6|C<3>}	119.9205	1.209	10	119.8784	0.760	39	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ce<14>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]CeO){1|O<3>,2|H<1>,6|C<3>}	119.8717	0.758	23	119.8784	0.760	39	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Eu<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO){1|O<2>,2|H<1>,6|C<3>}	119.7283	0.720	12	119.7973	0.445	18	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Eu<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]EuO){1|O<3>,2|H<1>,6|C<3>}	119.9355	0.584	6	119.7973	0.445	18	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|La<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO){1|O<2>,2|H<1>,6|C<3>}	119.9950	0.000	2	120.0577	0.174	8	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|La<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LaO){1|O<3>,2|H<1>,6|C<3>}	120.0787	0.492	6	120.0577	0.174	8	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LuO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Lu<12>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]LuO){1|O<3>,2|H<1>,6|C<3>}	120.2607	0.887	6	120.2607	0.787	6	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OU)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|U<13>,1|C<4>,1|O<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OU){1|O<3>,2|H<1>,6|C<3>}	119.6899	0.807	12	119.6899	0.651	12	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OY)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Y<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]OY){1|O<2>,2|H<1>,6|C<3>}	119.5625	0.131	2	119.5625	0.017	2	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ti<11>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	119.1590	0.717	8	119.2931	0.612	9	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Ti<9>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]TiO){1|Ti<9>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	120.3660	0.000	1	119.2931	0.612	9	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]YbO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Yb<12>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]YbO){1|O<2>,2|H<1>,6|C<3>}	120.5955	0.952	2	120.5955	0.907	2	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]ZrO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Zr<13>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]ZrO){1|Si<4>,1|H<1>,1|O<2>,6|C<3>}	120.0820	0.529	4	120.0820	0.280	4	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(C[6]C[6]PdH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|Pd<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6])(C[6]C[6]PdH){2|H<1>,6|C<3>}	118.6400	0.175	2	118.6400	0.031	2	119.8184	0.637	102	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:In-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]In)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(InI3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]In){1|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|In<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(InI3){1|H<1>,3|C<3>}	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.4370	0.133	2	119.4370	0.018	2	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	119.7375	0.019	2	119.8152	0.035	4	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	119.8930	0.284	2	119.8152	0.035	4	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3){2|H<1>,5|C<3>}	120.4260	0.000	1	120.4260	0.000	1	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cd<7>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN){2|H<1>,3|C<3>}	117.7715	0.429	15	117.7715	0.184	15	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN){2|H<1>,3|C<3>}	117.6750	0.000	1	117.6750	0.000	1	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN){2|H<1>,3|C<3>}	117.9700	0.314	3	117.9628	0.042	6	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<7>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN){2|H<1>,3|C<3>}	117.9557	0.072	3	117.9628	0.042	6	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH){2|H<1>,3|C<3>}	119.2970	0.000	1	119.2970	0.000	1	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH){2|H<1>,3|C<3>}	118.4288	0.316	4	118.4288	0.100	4	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH){2|H<1>,3|C<3>}	119.1420	0.000	1	119.1420	0.000	1	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN){2|H<1>,3|C<3>}	117.6051	0.346	14	117.6893	0.157	16	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN){2|H<1>,3|C<3>}	118.2785	0.095	2	117.6893	0.157	16	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<6>,1|H<1>,3|C<3>}	118.2520	0.000	1	117.6227	0.345	4	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<4>,1|H<1>,3|C<3>}	117.6530	0.000	1	117.6227	0.345	4	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<6>,1|H<1>,3|C<3>}	117.2930	0.648	2	117.6227	0.345	4	118.1138	0.663	55	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Os)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Os<5>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]Os){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	119.8520	0.000	1	119.8520	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.1790	0.000	1	119.0273	0.032	3	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9515	0.172	2	119.0273	0.032	3	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){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]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	118.5980	0.000	1	118.9575	0.258	2	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	119.3170	0.000	1	118.9575	0.258	2	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO){1|N<3>,2|C<3>,2|H<1>}	119.0830	0.000	1	119.0830	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.7890	0.000	1	118.8775	0.016	2	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.9660	0.000	1	118.8775	0.016	2	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.1010	0.000	1	118.5417	0.740	10	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.6800	0.000	1	118.5417	0.740	10	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	116.5320	0.000	1	118.5417	0.740	10	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.0680	0.000	1	118.5417	0.740	10	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.0060	0.153	6	118.5417	0.740	10	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ir){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.2395	0.367	8	119.2395	0.135	8	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.6520	0.000	1	116.6520	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ni){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.4050	0.000	1	118.4050	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	119.9350	0.000	1	119.9350	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|N<3>,2|C<3>,2|H<1>}	118.0320	0.000	1	118.0122	0.078	4	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pd){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.0057	0.341	3	118.0122	0.078	4	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Pt){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.3965	0.220	2	119.3965	0.048	2	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,3|H<1>}	120.2120	0.000	1	120.2120	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.8340	0.000	1	120.8340	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.2580	0.000	1	121.2580	0.000	1	118.9528	0.851	39	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	119.1580	0.000	1	119.1580	0.000	1	118.5143	0.817	3	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	117.4810	0.000	1	117.4810	0.000	1	118.5143	0.817	3	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	118.9040	0.000	1	118.9040	0.000	1	118.5143	0.817	3	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	121.0910	0.000	1	121.0910	0.000	1	121.0910	0.000	1	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.5243	0.544	3	117.5178	4.250	4	117.5178	4.250	4	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<2>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ru){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	114.4980	0.000	1	117.5178	4.250	4	117.5178	4.250	4	118.9269	1.234	363	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]OO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|F<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]OO)(O){1|C<4>,2|F<1>,3|C<3>}	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O){1|H<1>,2|O<1>,6|C<3>}	122.9020	0.000	1	122.9020	0.000	1	122.9020	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	122.1173	0.350	3	122.1173	0.122	3	121.6394	0.283	7	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	121.4067	0.183	3	121.2810	0.085	4	121.6394	0.283	7	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){2|H<1>,5|C<3>}	120.9040	0.000	1	121.2810	0.085	4	121.6394	0.283	7	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|C<4>,3|H<1>,5|C<3>}	121.3795	0.531	2	121.3795	0.282	2	120.8180	0.961	5	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O){2|C<4>,2|H<1>,5|C<3>}	119.1600	0.000	1	119.1600	0.000	1	120.8180	0.961	5	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.0855	0.202	2	121.0855	0.041	2	120.8180	0.961	5	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,1|H<1>,5|C<3>}	121.2950	0.247	3	121.5240	0.121	6	121.5240	0.121	6	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,2|H<1>,4|C<3>}	121.7530	0.289	3	121.5240	0.121	6	121.5240	0.121	6	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){3|H<1>,5|C<3>}	121.2420	0.000	1	121.2420	0.000	1	120.5012	0.815	4	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){3|C<3>,3|C<4>,3|H<1>}	121.3220	0.000	1	121.3220	0.000	1	120.5012	0.815	4	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<4>,3|C<3>,3|H<1>}	119.7205	0.046	2	119.7205	0.002	2	120.5012	0.815	4	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Fe<11>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|Fe<11>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Fe)(H){2|C<4>,2|H<1>,3|C<3>}	119.0805	0.187	2	119.0805	0.035	2	119.0805	0.035	2	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	121.7530	0.000	1	121.7530	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|H<1>,2|C<4>,5|C<3>}	121.9090	0.000	1	121.9090	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.2070	0.000	1	121.3780	0.058	2	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){2|C<4>,2|H<1>,4|C<3>}	121.5490	0.000	1	121.3780	0.058	2	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	121.4500	0.362	3	121.4500	0.131	3	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	120.8225	0.459	6	120.7914	0.183	7	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<4>,4|C<3>}	120.6050	0.000	1	120.7914	0.183	7	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|H<1>,5|C<3>}	120.9940	0.000	1	120.9940	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	120.2987	0.198	3	120.2987	0.039	3	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O){1|C<4>,3|H<1>,5|C<3>}	121.7970	0.000	1	121.7970	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){2|C<4>,4|H<1>,5|C<3>}	121.4030	0.000	1	121.4030	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	120.1990	0.242	2	120.1990	0.058	2	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.6580	0.000	1	119.6580	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.3900	0.457	2	120.3900	0.209	2	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	120.8500	0.000	1	120.8500	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.2780	0.349	2	121.2780	0.122	2	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.2680	0.000	1	121.2680	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.0890	0.000	1	120.0890	0.000	1	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,1|S<2>,2|C<4>,2|O<2>,3|C<3>}	120.7340	0.341	2	120.9177	0.159	3	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	121.2850	0.000	1	120.9177	0.159	3	120.9015	0.365	33	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,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]H)(C[6]C[6]Br){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,4|C<3>,4|H<1>}	120.7800	0.000	1	120.7800	0.000	1	120.2650	1.009	5	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){3|H<1>,7|C<3>}	120.1020	0.533	2	120.1020	0.284	2	120.2650	1.009	5	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){4|H<1>,5|C<3>}	121.4770	0.000	1	121.4770	0.000	1	120.2650	1.009	5	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O){1|H<1>,3|C<3>,3|C<4>}	118.8640	0.000	1	118.8640	0.000	1	120.2650	1.009	5	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,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]H)(C[6]C[6]Br){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,4|C<3>,4|H<1>}	120.9600	0.000	1	120.9600	0.000	1	119.9730	1.948	2	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|N<3>,3|H<1>,5|C<3>}	118.9860	0.000	1	118.9860	0.000	1	119.9730	1.948	2	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	120.5000	0.000	2	120.5000	0.000	2	120.5000	0.000	2	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	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>}	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>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	121.2170	0.142	4	121.2170	0.020	4	121.2170	0.020	4	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|F<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O){1|H<1>,2|O<2>,3|C<3>}	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){5|C<3>}	114.9170	0.000	1	114.9170	0.000	1	119.5740	3.924	8	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	119.8088	0.504	4	119.8088	0.254	4	119.5740	3.924	8	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O){1|H<1>,8|C<3>}	120.5130	0.000	1	120.5130	0.000	1	119.5740	3.924	8	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O){1|H<1>,1|S<2>,5|C<3>}	120.7960	0.000	1	120.7960	0.000	1	119.5740	3.924	8	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O){1|H<1>,6|C<3>}	121.1310	0.000	1	121.1310	0.000	1	119.5740	3.924	8	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	120.6480	0.000	1	120.6480	0.000	1	120.0073	0.537	10	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	120.3830	0.000	1	120.8133	0.197	3	120.0073	0.537	10	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	121.0285	0.340	2	120.8133	0.197	3	120.0073	0.537	10	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	119.5080	0.000	1	119.5080	0.000	1	120.0073	0.537	10	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	119.4954	0.359	5	119.4954	0.129	5	120.0073	0.537	10	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Au2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Au<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Au2)(H){2|H<1>,3|C<3>}	119.5530	0.000	1	119.5530	0.000	1	119.2485	0.185	2	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RhH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RhH)(H){1|H<1>,4|C<3>}	118.9440	0.000	1	118.9440	0.000	1	119.2485	0.185	2	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){3|C<3>,3|H<1>}	120.9780	0.000	1	120.9780	0.000	1	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	119.6930	0.000	1	120.0255	0.221	2	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|F<1>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	120.3580	0.000	1	120.0255	0.221	2	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){2|H<1>,3|C<3>}	120.5440	0.000	1	120.5440	0.000	1	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,3|C<3>}	121.3660	0.000	1	121.3660	0.000	1	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O){2|H<1>,5|C<3>}	119.9510	0.000	1	119.9510	0.000	1	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O){1|C<4>,1|H<1>,5|C<3>}	118.8135	0.161	2	118.8135	0.026	2	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O){1|H<1>,1|O<2>,5|C<3>}	120.4170	0.000	1	120.4170	0.000	1	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,4|C<3>}	117.8880	2.025	2	117.8880	4.101	2	119.7009	1.840	11	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	120.7640	0.000	1	120.7640	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	119.7820	0.000	1	119.7820	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.3130	0.240	2	120.3130	0.058	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	120.8720	0.000	1	120.8720	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.9445	0.317	2	120.9445	0.101	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	120.5600	0.000	1	120.5600	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|N<3>,2|H<1>,5|C<3>}	121.7750	0.000	1	121.1285	0.836	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.4820	0.000	1	121.1285	0.836	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	120.0180	0.000	1	120.0180	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	119.7612	0.548	6	119.7612	0.300	6	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	121.6340	0.000	1	121.6340	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|N<3>,2|H<1>,3|C<3>}	121.6620	0.000	1	121.6620	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|N<3>,3|H<1>,4|C<3>}	122.9220	0.000	1	122.9220	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	123.8160	0.000	1	124.1465	0.218	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	124.4770	0.000	1	124.1465	0.218	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	124.5790	0.000	1	124.3135	0.141	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	124.0480	0.000	1	124.3135	0.141	2	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	123.0930	0.226	2	123.1718	0.058	5	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	123.2243	0.282	3	123.1718	0.058	5	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.4630	0.000	1	118.4630	0.000	1	121.4265	2.995	30	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:Se[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Se[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|Se<3>,2|C<3>,3|H<1>}	125.3665	0.862	2	125.3665	0.743	2	125.3665	0.743	2	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O)	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O){1|N<3>,3|C<3>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	120.7892	2.184	141	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NO){1|C<4>,3|H<1>,5|C<3>}	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]N)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(NH){1|N<3>,3|H<1>,5|C<3>}	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:P-4:C[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sb)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(PC[6a]C[6]Sb)(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sb)(C[6]C[6]P){2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Sb<5>,1|C<2>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(PC[6a]C[6]Sb)(C[6]C[6]){1|H<1>,3|C<3>}	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]){1|N<3>,2|H<1>,3|C<3>}	118.1200	0.000	1	118.1200	0.000	1	121.9920	1.807	21	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]ClH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	122.7545	0.292	6	122.7545	0.086	6	121.9920	1.807	21	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	122.3127	0.319	7	122.3782	0.108	12	121.9920	1.807	21	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NN){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	122.4698	0.357	5	122.3782	0.108	12	121.9920	1.807	21	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|N<3>,2|C<3>,3|H<1>}	119.3240	0.117	2	119.3240	0.014	2	121.9920	1.807	21	121.5682	3.041	24	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.3890	0.000	1	119.7867	0.662	3	119.7867	0.662	3	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[5]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[5]C[5]2){1|O<2>,5|C<3>,5|H<1>}	119.4855	0.883	2	119.7867	0.662	3	119.7867	0.662	3	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	120.0460	0.000	1	120.0460	0.000	1	119.8717	0.125	3	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[4]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[4]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	119.7845	0.452	2	119.7845	0.204	2	119.8717	0.125	3	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	118.5500	0.000	1	118.5500	0.000	1	117.9400	0.744	2	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	117.3300	0.000	1	117.3300	0.000	1	117.9400	0.744	2	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	117.8560	0.000	1	117.8560	0.000	1	119.6015	6.094	2	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	121.3470	0.000	1	121.3470	0.000	1	119.6015	6.094	2	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I){1|H<1>,1|N<3>,5|C<3>}	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(CHH){1|H<1>,6|C<3>}	119.2140	0.532	2	119.2140	0.283	2	119.2140	0.283	2	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC[6a]Al){1|H<1>,4|C<3>}	116.0040	0.000	1	116.0040	0.000	1	116.0040	0.000	1	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	115.7590	0.000	1	115.7590	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|H<1>,1|O<1>,5|C<3>}	118.8230	0.000	1	118.8230	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,1|V<7>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN){2|H<1>,3|C<3>}	119.4660	0.000	1	119.3523	0.166	6	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,1|V<9>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN){2|H<1>,3|C<3>}	119.0670	0.000	1	119.3523	0.166	6	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|V<10>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]OV)(CCN){2|H<1>,3|C<3>}	119.3953	0.492	4	119.3523	0.166	6	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|F<1>,1|H<1>,1|O<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F){3|C<3>,3|H<1>}	120.1820	0.000	1	120.1820	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N){3|C<3>,3|H<1>}	119.9890	0.000	1	119.9890	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.7210	0.000	1	119.7210	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCH){2|H<1>,3|C<3>}	119.3910	0.374	3	119.3910	0.140	3	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2){1|C<4>,1|H<1>,3|C<3>}	117.8970	0.000	1	117.8970	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H){1|H<1>,5|C<3>}	118.8850	0.000	1	118.8850	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CP[6]H){1|H<1>,3|C<3>}	119.7790	0.000	1	119.7790	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CHH){1|H<1>,3|C<3>}	118.4470	0.000	1	118.4470	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CCH){1|O<1>,1|O<2>,5|C<3>}	115.9950	0.000	1	115.9950	0.000	1	118.9349	1.491	19	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O){1|S<4>,2|H<1>,5|C<3>}	119.3710	0.000	1	119.3710	0.000	1	119.7410	0.363	3	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	119.4160	0.000	1	119.4160	0.000	1	119.7410	0.363	3	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	120.4360	0.000	1	120.4360	0.000	1	119.7410	0.363	3	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){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]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	118.4290	0.000	1	118.8803	0.846	4	118.3589	0.476	15	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	119.0307	1.064	3	118.8803	0.846	4	118.3589	0.476	15	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	118.3210	0.000	1	118.2208	0.261	10	118.3589	0.476	15	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	118.0362	0.515	6	118.2208	0.261	10	118.3589	0.476	15	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	118.5567	0.486	3	118.2208	0.261	10	118.3589	0.476	15	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.6540	0.000	1	117.6540	0.000	1	118.3589	0.476	15	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3340	0.000	1	117.3340	0.000	1	118.7853	5.259	4	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHH){1|N<3>,2|H<1>,3|C<3>}	121.2370	0.000	1	121.2370	0.000	1	118.7853	5.259	4	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.3930	0.000	1	116.3930	0.000	1	118.7853	5.259	4	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(CSiH){1|N<3>,3|H<1>,4|C<3>}	120.1770	0.000	1	120.1770	0.000	1	118.7853	5.259	4	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO){3|H<1>,6|C<3>}	118.9060	0.000	1	118.9060	0.000	1	118.9355	0.002	2	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO){1|C<4>,1|H<1>,6|C<3>}	118.9650	0.000	1	118.9650	0.000	1	118.9355	0.002	2	118.8343	1.484	57	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6,6a](C[5a,6]C[5a,6,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	120.5450	0.000	1	120.5450	0.000	1	120.5450	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,8|C<3>}	121.3460	0.202	2	121.3460	0.041	2	120.3131	0.808	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,6|C<3>}	120.1660	0.369	4	120.1660	0.136	4	120.3131	0.808	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O){1|B<4>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	118.8360	0.000	1	118.8360	0.000	1	120.3131	0.808	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]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>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.7500	0.000	1	121.4777	0.425	3	121.0323	1.466	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	121.6760	0.000	1	121.4777	0.425	3	121.0323	1.466	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,4|C<3>}	122.0070	0.000	1	121.4777	0.425	3	121.0323	1.466	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>}	121.8090	0.000	1	121.8090	0.000	1	121.0323	1.466	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O)	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	121.0410	0.000	1	121.0410	0.000	1	121.0323	1.466	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	121.4710	0.000	1	121.4710	0.000	1	121.0323	1.466	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	118.4720	0.000	1	118.4720	0.000	1	121.0323	1.466	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H)	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,4|C<3>,5|C<4>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	120.9430	0.000	1	120.9430	0.000	1	121.1895	0.122	2	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	121.4360	0.000	1	121.4360	0.000	1	121.1895	0.122	2	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	121.5465	0.069	2	121.5465	0.005	2	121.6795	0.093	4	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	121.8125	0.450	2	121.8125	0.203	2	121.6795	0.093	4	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	122.5580	0.239	2	122.5580	0.057	2	122.5580	0.057	2	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,4|H<1>,5|C<3>}	121.3116	0.380	7	121.3116	0.145	7	121.3116	0.145	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.1930	0.000	1	121.1581	0.413	14	120.9644	0.584	17	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	119.6340	0.000	1	121.1581	0.413	14	120.9644	0.584	17	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	121.1999	0.533	8	121.1581	0.413	14	120.9644	0.584	17	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	121.4467	0.486	4	121.1581	0.413	14	120.9644	0.584	17	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,3|H<1>,5|C<3>}	119.6855	0.391	2	119.6855	0.153	2	120.9644	0.584	17	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H)	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	120.8110	0.000	1	120.8110	0.000	1	120.9644	0.584	17	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.1000	0.000	1	122.1000	0.000	1	120.9410	1.250	4	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	120.7250	0.000	1	120.7250	0.000	1	120.9410	1.250	4	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.4480	0.000	1	121.4480	0.000	1	120.9410	1.250	4	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	119.4910	0.000	1	119.4910	0.000	1	120.9410	1.250	4	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	120.0940	0.798	3	120.0940	0.636	3	120.0940	0.636	3	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	121.4887	1.346	4	121.4887	1.812	4	121.2137	1.057	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	121.0215	0.135	2	121.0215	0.018	2	121.2137	1.057	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	120.4980	0.000	1	120.4980	0.000	1	121.2137	1.057	7	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	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)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	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>}	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>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.4890	0.000	1	121.4890	0.000	1	120.6690	1.345	2	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	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)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O)	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>}	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>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	119.8490	0.000	1	119.8490	0.000	1	120.6690	1.345	2	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,4|C<3>,4|O<2>}	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	120.9103	0.202	4	120.9103	0.041	4	120.9103	0.041	4	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	120.9887	0.812	76	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	5:3:4:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[3x3,4,3x5,15x6]-5:C[6,6a]-3:C-4:	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,4|B<6>}	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<5>,2|H<1>,3|B<6>}	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6,6a]C[6,6a]C[6a])(CH3){1|C<5>,3|C<3>,4|H<1>,5|B<6>}	123.9730	0.000	1	123.9730	0.000	1	123.9730	0.000	1	123.9730	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:3:	6:3:4:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[6]-3:C[6,6a]-3:C[6a]-3:	B[4x3,4,5x5,22x6]-6:C[6,6a]-3:C-4:	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<5>,2|H<1>,3|B<6>}	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,4|B<6>}	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.8910	0.000	1	118.8910	0.000	1	118.8910	0.000	1	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1970	0.440	2	121.0507	0.161	3	121.0872	0.113	4	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.7580	0.000	1	121.0507	0.161	3	121.0872	0.113	4	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1970	0.000	1	121.1970	0.000	1	121.0872	0.113	4	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|H<1>,2|C<3>,2|C<4>}	117.1000	0.000	1	117.1000	0.000	1	117.8180	0.562	3	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	118.1770	0.593	2	118.1770	0.351	2	117.8180	0.562	3	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	120.9500	0.000	1	120.9500	0.000	1	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.3506	0.441	5	120.3506	0.195	5	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	120.3260	0.000	1	120.4870	0.052	2	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	120.6480	0.000	1	120.4870	0.052	2	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	120.7013	0.102	3	120.7013	0.010	3	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.3090	0.000	1	120.2445	0.042	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	120.2545	0.066	2	120.2445	0.042	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8820	0.000	1	120.2445	0.042	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	120.3380	0.000	1	120.2445	0.042	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1620	0.000	1	120.2445	0.042	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.1550	0.000	1	120.2445	0.042	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.6010	0.000	1	120.2445	0.042	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	120.3795	0.460	2	120.3795	0.212	2	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.6980	0.000	1	120.7763	0.033	3	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.8155	0.238	2	120.7763	0.033	3	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	120.7130	0.339	2	120.7130	0.115	2	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	119.8110	0.000	1	119.8110	0.000	1	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|O<2>}	119.9400	0.000	1	121.0863	0.992	3	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.6595	0.115	2	121.0863	0.992	3	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2045	0.076	2	120.6290	0.295	4	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0535	0.397	2	120.6290	0.295	4	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2030	0.000	1	120.8099	0.482	19	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2013	0.522	9	120.8099	0.482	19	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.5499	0.775	7	120.8099	0.482	19	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2625	0.262	2	120.8099	0.482	19	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9844	1.246	8	119.9844	1.554	8	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.7340	0.000	1	119.7340	0.000	1	120.5296	0.513	62	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	120.3718	0.994	72	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.3240	0.000	1	119.3240	0.000	1	119.5505	0.103	2	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.7770	0.000	1	119.7770	0.000	1	119.5505	0.103	2	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:S-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(SC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(SC[6a]){1|C<4>,2|C<3>,3|H<1>}	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN){1|C<4>,2|C<3>,3|H<1>}	119.4480	0.000	1	119.4480	0.000	1	119.5010	0.141	6	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NN[5]){2|C<3>,2|C<4>,2|H<1>}	119.1980	0.000	1	119.1980	0.000	1	119.5010	0.141	6	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){2|C<3>,2|C<4>,2|H<1>}	119.2430	0.267	2	119.5103	0.250	3	119.5010	0.141	6	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NO){1|C<4>,2|C<3>,3|H<1>}	120.0450	0.000	1	119.5103	0.250	3	119.5010	0.141	6	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NS){1|C<4>,2|C<3>,3|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.5010	0.141	6	119.2336	0.806	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.3950	0.000	1	118.3950	0.000	1	118.3950	0.000	1	118.5840	0.071	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH){1|C<4>,2|C<3>,3|H<1>}	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	118.5840	0.071	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	118.5130	0.000	1	118.5130	0.000	1	118.2473	0.084	3	118.2473	0.084	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	118.1145	0.250	2	118.1145	0.062	2	118.2473	0.084	3	118.2473	0.084	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.6923	0.801	4	119.8762	0.352	8	119.8590	0.311	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.0602	0.301	4	119.8762	0.352	8	119.8590	0.311	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.7210	0.000	1	119.7210	0.000	1	119.8590	0.311	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.6970	0.057	2	120.6970	0.003	2	120.6970	0.003	2	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6]Rh2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<7>,1|Rh<8>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6]Rh2){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	117.4090	0.000	1	117.4090	0.000	1	117.4090	0.000	1	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru2){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<9>,1|N<4>,2|C<3>,2|H<1>}	116.3670	0.000	1	116.6355	0.144	2	116.6355	0.144	2	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|Ru<9>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Ru2){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<9>,1|N<4>,2|C<3>,2|H<1>}	116.9040	0.000	1	116.6355	0.144	2	116.6355	0.144	2	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	121.2680	0.000	1	121.2680	0.000	1	121.2680	0.000	1	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.2705	0.091	2	121.2705	0.008	2	121.1167	0.438	7	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.0213	0.919	4	121.0213	0.844	4	121.1167	0.438	7	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.1910	0.000	1	121.1910	0.000	1	121.1167	0.438	7	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.8460	0.000	1	119.8460	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|C<4>,1|O<2>,2|C<3>}	117.8960	0.000	1	117.8960	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	118.7785	0.129	2	118.7785	0.017	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]AgH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Ag<5>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]AgH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	119.1380	0.000	1	119.1380	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HW)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|C<4>,1|W<7>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HW){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|W<7>,2|C<3>,2|H<1>}	117.7350	0.000	1	117.7350	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]NiH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Ni<4>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]NiH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	118.0860	0.000	1	118.0860	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]ReH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Re<7>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]ReH){1|Re<6>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Re<6>,1|Re<7>,1|C<4>,1|H<1>,2|C<3>}	117.4930	0.000	1	117.4930	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Br<1>,1|C<4>,3|C<3>}	118.6180	0.000	1	118.6180	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	118.4695	0.442	2	118.4695	0.195	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.5905	0.346	2	120.5905	0.120	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.7970	0.000	1	118.7970	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.7210	0.000	1	118.7210	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.8065	0.192	2	119.8065	0.037	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9280	0.399	2	119.9834	0.055	5	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0450	0.000	1	119.9834	0.055	5	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0080	0.219	2	119.9834	0.055	5	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.9220	0.000	1	119.9600	0.003	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.9980	0.000	1	119.9600	0.003	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.8980	0.000	1	119.8980	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.5165	0.323	2	119.5165	0.104	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.7930	0.000	1	119.7930	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4190	0.000	1	119.4687	0.071	3	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.2300	0.000	1	119.4687	0.071	3	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7570	0.000	1	119.4687	0.071	3	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1770	0.000	1	119.1770	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.5397	0.776	3	119.0072	0.521	6	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.2610	0.000	1	119.0072	0.521	6	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6810	0.000	1	119.0072	0.521	6	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.4820	0.000	1	119.0072	0.521	6	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.1830	0.650	3	118.9561	0.298	17	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9845	0.757	6	118.9561	0.298	17	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.0490	0.268	4	118.9561	0.298	17	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.0040	0.000	1	118.9561	0.298	17	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.6645	0.011	2	118.9561	0.298	17	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.2680	0.000	1	118.9561	0.298	17	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.9100	0.000	1	118.9100	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.7840	0.000	1	118.5880	0.077	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	118.3920	0.000	1	118.5880	0.077	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	118.0250	0.000	1	118.0250	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.7520	0.000	1	118.7050	0.004	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.6580	0.000	1	118.7050	0.004	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	117.8665	0.138	2	117.8665	0.019	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.7680	0.000	1	118.7680	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	117.5977	0.334	4	117.5977	0.112	4	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.1150	0.000	1	117.1150	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	117.3280	0.337	2	117.3280	0.113	2	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	117.8820	0.000	1	117.8820	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0100	0.000	1	120.0100	0.000	1	118.9008	0.753	74	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|C<4>,1|H<1>,4|C<3>}	116.2940	0.000	1	116.2940	0.000	1	116.6193	0.175	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(I){1|C<4>,1|H<1>,2|C<3>}	116.6600	0.427	8	116.6600	0.183	8	116.6193	0.175	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0180	0.000	1	119.0180	0.000	1	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,2|O<2>}	119.9000	0.000	1	119.9000	0.000	1	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.4950	0.000	1	121.4950	0.000	1	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.9214	0.382	5	120.9214	0.146	5	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.2020	0.000	1	120.9317	0.278	14	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.5717	0.412	4	120.9317	0.278	14	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.6172	0.251	9	120.9317	0.278	14	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.8470	0.000	1	120.8470	0.000	1	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.1140	0.000	1	121.1140	0.000	1	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,1|S<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.4920	0.000	1	121.4920	0.000	1	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.9110	0.000	1	119.9110	0.000	1	120.8242	0.413	26	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){2|O<2>,3|C<3>,4|C<4>}	119.8060	0.000	1	119.8060	0.000	1	119.8060	0.000	1	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	119.2446	0.289	5	119.2446	0.083	5	119.2446	0.083	5	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	119.5760	0.000	1	119.5760	0.000	1	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.5780	0.561	2	120.5780	0.315	2	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O){1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|O<1>,2|C<3>,2|C<4>}	118.8480	0.000	1	118.8480	0.000	1	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	119.6610	0.000	1	119.6610	0.000	1	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,2|C<3>,3|H<1>}	121.3970	0.000	1	121.3970	0.000	1	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.4030	0.000	1	121.2866	0.480	13	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.4950	0.113	2	121.2866	0.480	13	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.0160	0.122	4	121.2866	0.480	13	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.9250	0.000	1	121.2866	0.480	13	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.1990	0.000	1	121.2866	0.480	13	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.5363	0.307	4	121.2866	0.480	13	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	121.0840	0.000	1	121.0840	0.000	1	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	119.5557	1.352	3	120.8019	0.863	14	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	121.0380	0.000	1	120.8019	0.863	14	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	120.9377	0.360	3	120.8019	0.863	14	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	121.2440	0.440	7	120.8019	0.863	14	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	121.2587	0.354	3	121.2587	0.126	3	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.9400	0.713	2	121.9400	0.508	2	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.5570	0.000	1	121.2183	0.148	3	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.0490	0.352	2	121.2183	0.148	3	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.9098	0.247	4	120.9098	0.061	4	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|F<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FF){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7400	0.127	2	120.7400	0.016	2	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.9300	0.000	1	120.9860	0.047	5	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.2410	0.000	1	120.9860	0.047	5	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.9197	0.231	3	120.9860	0.047	5	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	119.9765	0.194	4	120.2745	0.231	10	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	120.1030	0.000	1	120.2745	0.231	10	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	121.2450	0.000	1	120.2745	0.231	10	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.2620	0.622	2	120.2745	0.231	10	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.4835	0.407	2	120.2745	0.231	10	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>}	120.9140	0.000	1	120.7990	0.567	4	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.7607	0.917	3	120.7990	0.567	4	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){2|C<3>,2|C<4>,2|H<1>}	120.9780	0.000	1	121.2060	0.104	2	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	121.4340	0.000	1	121.2060	0.104	2	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	120.4085	0.136	2	120.9778	0.439	4	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.5470	0.052	2	120.9778	0.439	4	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|C<4>,1|H<1>,5|C<3>}	120.4300	0.000	1	120.4300	0.000	1	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	120.8660	0.000	1	120.8660	0.000	1	120.8613	0.557	75	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]N[6]OO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	120.6500	0.000	1	120.6500	0.000	1	120.9735	0.209	2	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(P[6]O[6]OO){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|H<1>,1|P<4>,4|C<3>}	121.2970	0.000	1	121.2970	0.000	1	120.9735	0.209	2	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]CO){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,4|C<3>}	122.6510	0.000	1	122.6510	0.000	1	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	120.9880	0.000	1	120.9880	0.000	1	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	120.9680	0.000	1	120.9680	0.000	1	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	120.5140	0.000	1	120.5080	0.232	6	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	120.0165	0.404	2	120.5080	0.232	6	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	121.0160	0.000	1	120.5080	0.232	6	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.0130	0.000	1	120.5080	0.232	6	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	120.4720	0.000	1	120.5080	0.232	6	120.8506	0.642	9	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	123.3530	0.000	1	123.3530	0.000	1	122.2149	0.286	29	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.1743	0.497	28	122.1743	0.247	28	122.2149	0.286	29	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.8240	0.000	1	118.8240	0.000	1	120.1195	3.357	2	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.4150	0.000	1	121.4150	0.000	1	120.1195	3.357	2	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	120.4370	0.000	1	120.4370	0.000	1	120.4370	0.000	1	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.4130	0.000	1	116.4130	0.000	1	117.8533	2.537	3	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H){1|C<4>,1|S<4>,3|C<3>}	117.5830	0.000	1	117.5830	0.000	1	117.8533	2.537	3	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.5640	0.000	1	119.5640	0.000	1	117.8533	2.537	3	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]H){1|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	120.1488	2.340	259	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	117.7210	0.000	1	117.7210	0.000	1	118.1923	0.259	3	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	118.7320	0.000	1	118.7320	0.000	1	118.1923	0.259	3	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]N[6]){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	118.1240	0.000	1	118.1240	0.000	1	118.1923	0.259	3	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]2)(N[6]C[6]){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(NN){1|C<4>,1|H<1>,2|C<3>}	114.5235	0.310	2	114.5235	0.096	2	114.5235	0.096	2	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|H<1>,3|C<3>}	117.4100	0.000	1	117.4100	0.000	1	119.4185	0.679	14	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl){1|C<4>,2|C<3>,3|H<1>}	119.7690	0.400	9	119.7690	0.160	9	119.4185	0.679	14	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	118.7410	0.000	1	118.7410	0.000	1	119.4185	0.679	14	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|C<3>,3|H<1>}	119.2623	0.967	3	119.2623	0.934	3	119.4185	0.679	14	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.7280	0.649	2	120.7280	0.421	2	120.6200	0.292	85	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|H<1>,1|S<4>,2|C<3>}	120.0640	0.000	1	120.5741	0.237	80	120.6200	0.292	85	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.4996	0.462	67	120.5741	0.237	80	120.6200	0.292	85	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	121.0325	0.370	12	120.5741	0.237	80	120.6200	0.292	85	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.7733	0.775	3	121.7733	0.601	3	120.6200	0.292	85	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	115.9780	0.000	1	115.9780	0.000	1	115.9780	0.000	1	120.1734	1.620	107	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[5]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|B<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H){1|B<3>,1|H<1>,2|C<3>,3|C<4>}	118.8120	0.000	1	118.8120	0.000	1	118.8120	0.000	1	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,6|C<3>}	117.7710	0.000	1	117.7710	0.000	1	117.7710	0.000	1	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Pd){2|C<4>,3|H<1>,4|C<3>}	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	121.0400	0.000	1	121.0400	0.000	1	119.2330	1.016	7	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.9640	0.000	1	119.4135	0.404	2	119.2330	1.016	7	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|H<1>}	119.8630	0.000	1	119.4135	0.404	2	119.2330	1.016	7	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]P){1|C<4>,4|C<3>,5|H<1>}	118.8240	0.000	1	118.8240	0.000	1	119.2330	1.016	7	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,3|H<1>,5|C<3>}	118.2980	0.659	2	118.2980	0.434	2	119.2330	1.016	7	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,4|C<3>,5|H<1>}	119.3440	0.000	1	119.3440	0.000	1	119.2330	1.016	7	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Au<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]Au){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	119.6290	0.000	1	119.6290	0.000	1	119.9377	0.187	3	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.4320	0.000	1	120.0920	0.231	2	119.9377	0.187	3	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	119.7520	0.000	1	120.0920	0.231	2	119.9377	0.187	3	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO){2|C<3>,3|C<4>,4|H<1>}	118.7080	0.000	1	118.7080	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	118.2230	0.000	1	118.2230	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	119.0400	0.000	1	119.0400	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	119.3170	0.000	1	119.3170	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,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]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	115.3990	0.000	1	115.3990	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.8170	0.000	1	118.8170	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	117.7560	0.000	1	117.7560	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CNO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Mg<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CNO){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	115.9305	0.371	2	115.9305	0.138	2	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	118.3260	0.000	1	118.3260	0.000	1	117.7447	2.113	10	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|C<4>,2|C<3>,3|H<1>}	119.0860	0.000	1	119.0860	0.000	1	118.4765	0.293	8	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH){1|C<4>,2|C<3>,3|H<1>}	118.8345	0.346	2	118.8345	0.120	2	118.4765	0.293	8	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.0250	0.292	4	118.0250	0.085	4	118.4765	0.293	8	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.9570	0.000	1	118.9570	0.000	1	118.4765	0.293	8	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]N[6]){1|Cu<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Cu){1|C<4>,4|C<3>,4|H<1>}	116.3840	0.000	1	116.3840	0.000	1	116.3840	0.000	1	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.9270	0.000	1	118.9270	0.000	1	119.9560	1.951	3	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	121.5460	0.000	1	121.5460	0.000	1	119.9560	1.951	3	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.9560	1.951	3	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	118.1420	0.185	2	118.2475	0.048	4	118.1348	0.091	6	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	118.1740	0.000	1	118.2475	0.048	4	118.1348	0.091	6	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	118.5320	0.000	1	118.2475	0.048	4	118.1348	0.091	6	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	117.9095	0.398	2	117.9095	0.158	2	118.1348	0.091	6	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO){1|C<4>,2|H<1>,3|C<3>}	116.8480	0.000	1	116.8480	0.000	1	116.8480	0.000	1	118.4689	1.583	43	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|H<1>,4|C<3>,4|C<4>}	115.6370	0.000	1	115.6370	0.000	1	117.8930	10.179	2	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){2|H<1>,4|C<4>,6|C<3>}	120.1490	0.000	1	120.1490	0.000	1	117.8930	10.179	2	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH){1|C<4>,2|H<1>,7|C<3>}	115.1430	0.000	1	115.1430	0.000	1	115.1430	0.000	1	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	119.9430	0.000	1	119.9430	0.000	1	119.9430	0.000	1	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	116.5050	0.000	1	116.5050	0.000	1	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	119.1550	0.132	2	119.1550	0.017	2	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.9010	0.000	1	119.9010	0.000	1	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3){1|C<4>,2|C<3>,3|H<1>}	117.6270	0.547	2	117.6270	0.300	2	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9910	0.000	1	119.1300	0.017	3	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	119.1995	0.070	2	119.1300	0.017	3	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	117.4730	0.000	1	117.4730	0.000	1	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	116.6530	0.000	1	116.6530	0.000	1	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	117.1220	0.000	1	117.1220	0.000	1	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	122.1430	0.000	1	122.1430	0.000	1	118.5193	2.458	13	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SiC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SiC3){1|H<1>,2|C<4>,3|C<3>}	119.9865	0.616	2	119.9865	0.379	2	119.9865	0.379	2	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	119.6690	0.000	1	119.6690	0.000	1	119.6690	0.000	1	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.7110	0.124	2	120.7110	0.015	2	120.7110	0.015	2	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]2){3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]CH){3|C<4>,3|H<1>,5|C<3>}	116.4347	1.629	8	116.4347	2.655	8	116.4347	2.655	8	118.1975	4.077	32	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	119.3140	0.287	2	119.3140	0.082	2	117.8378	1.928	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){2|C<3>,4|C<4>}	116.8537	0.428	3	116.8537	0.183	3	117.8378	1.928	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	120.8130	0.000	1	120.8130	0.000	1	121.1213	0.071	3	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){2|C<3>,2|C<4>,4|H<1>}	121.2820	0.000	1	121.2820	0.000	1	121.1213	0.071	3	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	121.2690	0.000	1	121.2690	0.000	1	121.1213	0.071	3	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C[6])(O){2|C<3>,5|C<4>,5|H<1>}	120.2840	0.000	1	120.2840	0.000	1	120.2905	0.000	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(O){2|C<3>,5|C<4>,5|H<1>}	120.2970	0.000	1	120.2970	0.000	1	120.2905	0.000	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	121.9260	0.000	1	121.9260	0.000	1	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	121.7770	0.000	1	121.7770	0.000	1	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	120.6210	1.206	2	120.6210	1.455	2	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	122.2950	0.000	1	121.5763	0.330	4	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<2>,1|S<2>,4|C<3>,4|H<1>}	121.3985	0.527	2	121.5763	0.330	4	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	121.2130	0.000	1	121.5763	0.330	4	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	120.1900	0.000	1	120.6762	0.110	4	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	120.7920	0.000	1	120.6762	0.110	4	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	120.8615	0.111	2	120.6762	0.110	4	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	120.3400	0.000	1	120.9510	0.747	2	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	121.5620	0.000	1	120.9510	0.747	2	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	119.0400	0.000	1	119.0400	0.000	1	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	120.0050	0.000	1	120.0050	0.000	1	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	122.6040	0.000	1	122.9210	0.201	2	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	123.2380	0.000	1	122.9210	0.201	2	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	121.4120	0.000	1	121.0590	0.249	2	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	120.7060	0.000	1	121.0590	0.249	2	121.1431	1.015	20	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	121.5520	0.000	1	121.5520	0.000	1	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.6760	0.000	1	121.0385	0.813	2	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){2|C<4>,3|C<3>,5|H<1>}	120.4010	0.000	1	121.0385	0.813	2	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	121.0630	0.000	1	121.4629	0.219	8	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	121.8015	0.629	2	121.4629	0.219	8	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|N<3>,1|S<1>,2|C<4>,3|C<3>,4|H<1>}	121.7630	0.000	1	121.4629	0.219	8	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.6425	0.305	2	121.4629	0.219	8	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	120.9945	0.248	2	121.4629	0.219	8	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O){1|H<1>,2|C<4>,4|C<3>}	120.5390	0.000	2	120.5390	0.000	2	121.2623	0.325	13	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0573	0.130	4	121.0573	0.017	4	121.0573	0.017	4	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O){1|C<3>,1|C<4>,1|H<1>,5|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O){1|H<1>,2|C<3>,2|C<4>}	120.9068	0.588	8	120.9068	0.345	8	120.9068	0.345	8	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|C<3>}	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.2660	0.000	1	121.2660	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.1910	0.000	1	119.1910	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	118.5325	0.015	2	118.5325	0.000	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|C<4>,2|H<1>,3|C<3>}	120.3720	0.000	1	120.3720	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,5|C<3>}	120.3720	0.000	1	120.3720	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	117.0465	0.412	2	117.0465	0.170	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	121.6890	0.000	1	121.6890	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|H<1>,3|C<3>}	120.9480	0.000	1	120.9210	0.001	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|H<1>,3|C<3>}	120.8940	0.000	1	120.9210	0.001	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	120.7800	0.000	1	120.7800	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]F)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.6780	0.000	1	120.6780	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	120.0540	0.000	1	120.0540	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O){2|C<4>,3|C<3>,4|H<1>}	121.8830	0.000	1	121.8830	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){2|C<4>,3|C<3>,4|H<1>}	121.1534	0.312	7	121.1534	0.097	7	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	120.5960	0.000	1	121.2950	1.194	11	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	123.2405	0.910	2	121.2950	1.194	11	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	120.8960	0.504	8	121.2950	1.194	11	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	121.0500	0.457	2	121.0500	0.209	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	120.7180	0.247	2	121.0843	0.135	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	121.1817	0.365	6	121.0843	0.135	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,2|C<4>,3|C<3>}	121.2330	0.000	1	121.0843	0.135	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	120.9830	0.000	1	121.3447	0.486	3	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	120.9030	0.000	1	121.3447	0.486	3	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	122.1480	0.000	1	121.3447	0.486	3	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	121.9410	0.000	1	120.5013	0.729	12	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	120.6552	0.325	4	120.5013	0.729	12	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<4>,3|C<3>}	120.0540	0.000	1	120.5013	0.729	12	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<4>,3|C<3>}	119.9710	0.850	3	120.5013	0.729	12	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<3>,3|C<4>}	119.9015	0.967	2	120.5013	0.729	12	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|H<1>,3|C<3>}	121.6830	0.000	1	120.5013	0.729	12	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|C<4>,2|C<3>,3|H<1>}	122.0790	0.000	1	122.0790	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){1|C<4>,2|C<3>,3|H<1>}	122.0740	0.150	2	122.1720	0.040	3	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){1|C<4>,2|C<3>,3|H<1>}	122.3680	0.000	1	122.1720	0.040	3	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){1|C<4>,2|C<3>,3|H<1>}	120.7020	0.000	1	120.7020	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O){1|C<4>,2|C<3>,3|H<1>}	120.6230	0.000	1	120.6230	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	120.8310	0.000	1	120.6091	1.899	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	120.7300	0.000	1	120.6091	1.899	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	120.2150	2.097	4	120.6091	1.899	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	121.2910	0.607	2	120.6091	1.899	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	120.4790	0.000	1	120.6091	1.899	9	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|C<4>,2|C<3>,3|H<1>}	120.5100	0.079	2	120.5100	0.006	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O){1|C<4>,2|C<3>,3|H<1>}	120.5465	0.483	2	120.5465	0.233	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	121.4990	0.000	1	121.4990	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|C<4>,3|H<1>,4|C<3>}	121.7050	0.007	2	121.7050	0.000	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	121.0135	0.086	2	121.0135	0.007	2	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,2|H<1>,5|C<3>}	120.3600	0.237	4	120.3478	0.043	5	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|H<1>,2|C<4>,5|C<3>}	120.2990	0.000	1	120.3478	0.043	5	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	120.4390	0.000	1	120.4390	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	120.7880	0.000	1	120.6710	0.076	6	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	120.5433	0.222	4	120.6710	0.076	6	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	121.0650	0.000	1	120.6710	0.076	6	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.1060	0.000	1	120.1060	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	121.4950	0.000	1	121.4950	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7030	0.000	1	119.7030	0.000	1	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5560	0.214	2	120.7600	0.291	4	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.3890	0.000	1	120.7600	0.291	4	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5390	0.000	1	120.7600	0.291	4	120.7697	1.030	102	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|S<4>,2|H<1>,3|C<3>}	123.2960	0.078	2	123.2960	0.006	2	122.9716	0.256	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O){1|H<1>,1|S<4>,2|C<3>}	123.4060	0.000	1	123.4060	0.000	1	122.9716	0.256	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|H<1>}	122.3010	0.000	1	122.4300	0.033	2	122.9716	0.256	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	122.5590	0.000	1	122.4300	0.033	2	122.9716	0.256	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|N<2>,1|N<3>,3|C<4>}	116.7405	0.186	2	116.7405	0.035	2	117.4162	1.241	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	117.1155	0.148	2	117.1155	0.022	2	117.4162	1.241	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	119.3690	0.000	1	119.3690	0.000	1	117.4162	1.241	5	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.9200	0.000	1	117.9200	0.000	1	117.6785	0.117	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	117.4370	0.000	1	117.4370	0.000	1	117.6785	0.117	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	116.5300	0.000	1	116.5300	0.000	1	116.5300	0.000	1	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.0710	0.000	1	117.0710	0.000	1	117.9575	1.572	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	118.8440	0.000	1	118.8440	0.000	1	117.9575	1.572	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|C<4>}	118.7230	0.000	1	118.7230	0.000	1	119.2615	0.580	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	119.8000	0.000	1	119.8000	0.000	1	119.2615	0.580	2	120.6491	1.890	177	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]){3|C<3>,3|C<4>,6|H<1>}	117.3955	0.221	2	117.3955	0.049	2	117.3955	0.049	2	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC){1|C<4>,1|H<1>,4|C<3>}	119.3570	0.000	1	119.3570	0.000	1	119.4965	0.223	4	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.1160	0.000	1	120.1160	0.000	1	119.4965	0.223	4	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	119.5310	0.000	1	119.5310	0.000	1	119.4965	0.223	4	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(CC[6]){1|C<4>,1|H<1>,2|C<3>}	118.9820	0.000	1	118.9820	0.000	1	119.4965	0.223	4	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCl){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	116.2620	0.000	1	116.2620	0.000	1	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	116.5160	0.000	1	116.3495	0.055	2	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	116.1830	0.000	1	116.3495	0.055	2	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN[5]){1|H<1>,2|C<3>,3|C<4>}	120.0560	0.000	1	120.0560	0.000	1	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NN){1|C<4>,2|C<3>,3|H<1>}	119.9130	0.000	1	119.9130	0.000	1	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS){1|C<4>,2|C<3>,3|H<1>}	120.2740	0.384	4	120.2740	0.147	4	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(NO){1|C<4>,2|C<3>,3|H<1>}	118.4190	0.680	2	118.4190	0.463	2	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	120.2750	0.000	1	119.9787	0.113	9	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	119.9416	0.340	8	119.9787	0.113	9	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NO){1|C<4>,2|C<3>,3|H<1>}	119.8030	0.000	1	119.8030	0.000	1	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|O<2>,2|S<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]OS)(NO){1|C<4>,1|H<1>,2|C<3>}	117.0290	0.000	1	117.0290	0.000	1	119.2502	2.110	22	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<2>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|H<1>,1|S<4>,2|C<3>}	120.9270	0.000	1	122.1589	0.289	13	122.1589	0.289	13	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|S<4>,2|C<3>,2|H<1>}	122.3453	0.394	10	122.1589	0.289	13	122.1589	0.289	13	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:N-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NN){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.8430	0.085	2	122.1589	0.289	13	122.1589	0.289	13	120.1060	3.389	41	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.1740	0.000	1	119.1740	0.000	1	119.1740	0.000	1	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|H<1>,3|C<3>}	114.4450	0.000	1	114.4450	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	120.6390	0.000	1	120.6390	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	118.9231	0.451	7	118.9231	0.203	7	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCH){1|C<4>,2|C<3>,3|H<1>}	118.6240	0.000	1	118.6240	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	116.7910	0.000	1	116.7910	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	119.8490	0.000	1	119.8490	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	119.8230	0.000	1	119.8230	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	119.3330	0.000	1	119.3330	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C){1|C<4>,2|C<3>,3|H<1>}	119.5915	0.892	2	119.5915	0.795	2	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]Pd)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]Pd){1|C<4>,2|C<3>,3|H<1>}	119.2370	0.000	1	119.2370	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	120.0620	0.000	1	120.0620	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<4>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(CHH){1|C<4>,2|C<3>,3|H<1>}	120.7510	0.000	1	120.7510	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	119.4680	0.000	1	119.4680	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(CHH){1|C<4>,1|H<1>,2|C<3>}	119.2230	0.000	1	119.2230	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){1|C<4>,2|C<3>,3|H<1>}	118.1050	0.000	1	118.1050	0.000	1	118.9998	1.811	22	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	115.9610	0.000	1	115.9610	0.000	1	117.1627	1.867	3	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	118.6490	0.000	1	118.6490	0.000	1	117.1627	1.867	3	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|I<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]I){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	116.8780	0.000	1	116.8780	0.000	1	117.1627	1.867	3	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NNiN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NNiN){1|C<4>,2|C<3>,3|H<1>}	118.6945	0.251	4	118.6945	0.063	4	118.6945	0.063	4	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	121.4435	0.580	4	121.4435	0.336	4	121.4435	0.336	4	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.2270	0.045	2	121.2270	0.002	2	121.2270	0.002	2	119.2129	2.448	36	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,5|C<4>,5|H<1>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	121.4612	0.756	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	121.6500	0.000	1	121.6500	0.000	1	121.8543	0.152	7	121.4612	0.756	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	121.8883	0.415	6	121.8883	0.172	6	121.8543	0.152	7	121.4612	0.756	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	121.4612	0.756	9	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(CHH){1|H<1>,2|C<4>,4|C<3>}	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.0733	0.066	3	121.0733	0.004	3	121.0733	0.004	3	121.0733	0.004	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|C<4>}	121.9660	0.000	1	121.4490	0.535	2	121.4490	0.535	2	121.9820	4.184	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<4>,1|N<2>,1|O<2>,1|S<4>,3|C<3>}	120.9320	0.000	1	121.4490	0.535	2	121.4490	0.535	2	121.9820	4.184	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	124.4180	0.836	2	124.4180	0.699	2	124.4180	0.699	2	121.9820	4.184	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	120.0790	0.099	2	120.0790	0.010	2	120.0790	0.010	2	121.9820	4.184	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	120.0830	0.000	1	119.2693	0.513	3	120.5212	1.288	9	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.7330	0.000	1	119.2693	0.513	3	120.5212	1.288	9	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	118.9920	0.000	1	119.2693	0.513	3	120.5212	1.288	9	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.6780	0.301	2	121.6780	0.091	2	120.5212	1.288	9	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	121.5120	0.000	1	120.8817	0.430	4	120.5212	1.288	9	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	121.0025	0.323	2	120.8817	0.430	4	120.5212	1.288	9	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	120.0100	0.000	1	120.8817	0.430	4	120.5212	1.288	9	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7725	0.795	2	118.7725	0.633	2	118.7725	0.633	2	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.6635	0.094	2	118.6497	0.005	3	118.6497	0.005	3	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.6220	0.000	1	118.6497	0.005	3	118.6497	0.005	3	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.4050	0.000	1	116.8380	0.155	4	116.8380	0.155	4	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	116.6490	0.133	3	116.8380	0.155	4	116.8380	0.155	4	119.1965	2.983	18	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:2:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	122.1537	0.483	3	122.1537	0.234	3	122.1537	0.234	3	122.1537	0.234	3	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.7060	0.000	1	119.7060	0.000	1	119.7060	0.000	1	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	121.3710	0.365	2	121.3710	0.133	2	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|Br<1>,1|C<4>,4|C<3>}	118.0900	0.000	1	118.0900	0.000	1	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,2|C<4>,3|C<3>}	120.5515	0.053	2	120.5515	0.003	2	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,4|C<3>}	119.9630	0.000	1	119.9630	0.000	1	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,2|C<3>,3|C<4>}	120.2160	0.000	1	120.2160	0.000	1	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	119.7740	0.000	1	119.7740	0.000	1	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.3940	0.000	1	120.3940	0.000	1	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	120.2170	0.000	1	120.2170	0.000	1	120.2499	0.870	10	119.9879	1.278	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-2:N-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|N<2>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-2:N-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|N<2>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.8555	0.038	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-2:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6])(COO){1|H<1>,2|C<3>,3|C<4>}	116.7170	0.000	1	116.7170	0.000	1	116.7170	0.000	1	116.8555	0.038	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.5970	0.000	1	123.5970	0.000	1	123.5970	0.000	1	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	122.3280	0.000	1	122.3280	0.000	1	121.1425	0.690	4	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.6305	0.339	2	120.6305	0.115	2	121.1425	0.690	4	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	120.9810	0.000	1	120.9810	0.000	1	121.1425	0.690	4	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	119.6500	0.000	1	119.6500	0.000	1	118.7850	1.496	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	117.9200	0.000	1	117.9200	0.000	1	118.7850	1.496	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]2){2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){3|C<3>,3|C<4>,3|H<1>}	119.1030	0.000	1	119.1030	0.000	1	119.4808	0.211	5	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	119.3280	0.000	1	119.3280	0.000	1	119.4808	0.211	5	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	120.2710	0.000	1	119.7610	0.520	2	119.4808	0.211	5	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	119.2510	0.000	1	119.7610	0.520	2	119.4808	0.211	5	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	119.4510	0.000	1	119.4510	0.000	1	119.4808	0.211	5	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,6|C<3>}	120.4240	0.000	1	120.4240	0.000	1	120.4240	0.000	1	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	118.4120	0.000	1	118.2430	0.057	2	118.2430	0.057	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.0740	0.000	1	118.2430	0.057	2	118.2430	0.057	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<2>,1|C<4>,2|O<2>,4|C<3>}	118.3530	0.000	1	118.3530	0.000	1	120.0401	1.125	7	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	119.7155	0.002	2	119.7155	0.000	2	120.0401	1.125	7	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	120.1840	0.000	3	120.1840	0.000	3	120.0401	1.125	7	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.9450	0.000	1	121.9450	0.000	1	120.0401	1.125	7	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Li2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Br)(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Li2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Br){1|C<4>,2|H<1>,4|C<3>}	117.6682	0.151	10	117.6682	0.023	10	117.6682	0.023	10	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]PtB)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|Pt<4>,1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]PtB)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	119.5090	0.384	3	119.5090	0.147	3	119.5090	0.147	3	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.6508	0.237	4	121.3800	0.082	10	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.1995	0.129	6	121.3800	0.082	10	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.7050	0.000	1	120.7273	0.001	3	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.7385	0.023	2	120.7273	0.001	3	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.5250	0.000	1	120.5250	0.000	1	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.3100	0.502	2	121.3100	0.252	2	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.5920	0.000	1	120.5920	0.000	1	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.4980	0.000	1	121.4159	0.608	10	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.2090	0.000	1	121.4159	0.608	10	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.3065	0.823	8	121.4159	0.608	10	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.3010	0.000	1	120.3010	0.000	1	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.7900	0.276	2	120.1217	0.694	8	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.5657	0.105	6	120.1217	0.694	8	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.8090	1.325	4	120.5001	0.376	20	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.4229	0.306	16	120.5001	0.376	20	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.1532	0.104	4	120.1532	0.011	4	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	118.3785	0.781	2	118.3785	0.611	2	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]PtO)(C[6a]C[6a]P)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]PtO)(C[6a]C[6a]P){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.5200	0.276	2	120.5200	0.076	2	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O){1|C<4>,1|H<1>,4|C<3>}	119.0760	0.000	1	119.0760	0.000	1	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|C<2>,1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.5540	0.000	1	120.5540	0.000	1	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	119.1620	0.000	1	119.1620	0.000	1	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	120.5810	0.000	1	120.5810	0.000	1	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	120.5985	0.129	2	120.5985	0.017	2	120.6305	0.727	70	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	120.7710	0.444	3	120.7710	0.197	3	119.8905	1.060	6	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.0100	0.356	3	119.0100	0.127	3	119.8905	1.060	6	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	120.2970	0.000	1	120.2970	0.000	1	123.3319	1.973	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	124.8620	0.000	1	124.8620	0.000	1	123.3319	1.973	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	123.5880	0.000	1	123.5827	0.377	6	123.3319	1.973	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	123.8565	0.064	2	123.5827	0.377	6	123.3319	1.973	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	122.4970	0.000	1	123.5827	0.377	6	123.3319	1.973	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	123.8490	0.639	2	123.5827	0.377	6	123.3319	1.973	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	121.5365	0.247	2	121.5365	0.061	2	121.5365	0.061	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	121.7800	0.000	1	121.2415	0.580	2	121.2415	0.580	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.7030	0.000	1	121.2415	0.580	2	121.2415	0.580	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2Co)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Co<10>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2Co)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Co<10>,1|H<1>,2|C<3>,2|C<4>}	121.3715	0.144	2	121.3715	0.021	2	119.8680	1.371	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0215	0.397	2	119.6766	0.168	5	119.8680	1.371	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|N<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.3450	0.000	1	119.6766	0.168	5	119.8680	1.371	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.4975	0.317	2	119.6766	0.168	5	119.8680	1.371	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]N[6]O[5]2)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	117.8180	0.000	1	117.8180	0.000	1	119.8680	1.371	8	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	120.2780	0.444	2	120.2780	0.197	2	120.2780	0.197	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.2110	0.000	1	120.2110	0.000	1	118.8093	1.478	3	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	118.1085	0.090	2	118.1085	0.008	2	118.8093	1.478	3	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	121.5085	0.535	2	121.5085	0.287	2	121.5085	0.287	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.8160	0.000	1	121.7970	0.001	2	121.7970	0.001	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.7780	0.000	1	121.7970	0.001	2	121.7970	0.001	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|C<4>,2|C<3>,3|H<1>}	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]CoF)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F){1|Co<8>,1|C<3>,1|C<4>,4|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]CoF)(C[6a]C[6a]F){2|C<3>,4|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Co<8>,1|C<4>,2|C<3>,2|F<1>}	118.2360	0.000	1	118.2360	0.000	1	117.4777	0.436	3	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]NiF)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]F){1|Ni<4>,1|C<3>,1|C<4>,4|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]NiF)(C[6a]C[6a]F){2|C<3>,4|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,2|C<3>,2|F<1>}	117.0985	0.101	2	117.0985	0.010	2	117.4777	0.436	3	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	118.9560	0.000	1	118.9560	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Br<1>,1|C<4>,3|C<3>}	119.1055	0.284	2	119.1055	0.080	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	118.6490	0.000	1	118.6490	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	119.9820	0.000	1	119.9820	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.4520	0.000	1	120.4520	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.9330	0.000	1	119.9330	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.5740	0.000	1	119.7390	7.497	3	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.7760	0.000	1	119.7390	7.497	3	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.8670	0.000	1	119.7390	7.497	3	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2Ca)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ca<8>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2Ca)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ca<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.4465	0.223	2	118.4465	0.050	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2Ru)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2Ru)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.3245	0.397	2	119.3245	0.157	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]AgH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ag<5>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]AgH)(C[6a]C[6a]C){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.9410	0.000	1	118.9410	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0920	0.000	1	120.0920	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]CuC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cu<5>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]CuC)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	119.8920	0.000	1	119.8920	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]Li2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Li<3>,1|Li<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]Li2)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.3665	0.008	2	118.3665	0.000	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]Li2)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|Li<4>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]Li2)(C[6a]C[6a]N){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.3760	0.000	1	118.3760	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]MoH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Mo<7>,1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]MoH)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	119.2590	0.000	1	119.2590	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	118.3465	0.166	2	118.2523	0.040	3	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.0640	0.000	1	118.2523	0.040	3	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]OsH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Os<6>,1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]OsH)(C[6a]C[6a]H){1|Os<5>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Os<5>,1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	116.8090	0.000	3	116.8090	0.000	3	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ReH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Re<7>,1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ReH)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Re<7>,1|C<4>,2|C<3>,2|H<1>}	119.2240	0.000	1	119.2240	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	119.1730	0.000	1	119.1730	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	119.3630	0.000	1	119.6378	0.101	5	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	119.6075	0.518	2	119.6378	0.101	5	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	119.8055	0.019	2	119.6378	0.101	5	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Ir)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ir<9>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Ir)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ir<9>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.4605	0.607	2	119.4605	0.369	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Pd)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Pd)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.7260	0.000	1	117.7260	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Rh)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<9>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Rh)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0405	0.193	2	119.0405	0.037	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Ru)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<7>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Ru)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<7>,1|C<4>,2|C<3>,2|H<1>}	119.4900	0.000	1	119.5560	0.009	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Ru)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<8>,1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]Ru)(C[6a]C[6a]H){1|P<5>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<8>,1|C<4>,1|H<1>,1|P<5>,2|C<3>}	119.6220	0.000	1	119.5560	0.009	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.8230	0.000	1	118.8230	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	117.9030	0.000	1	117.9030	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.3140	0.000	1	118.3140	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.7800	0.000	1	118.7800	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	117.4500	0.000	1	117.4500	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.6170	0.000	1	117.6170	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.7570	0.180	2	117.7570	0.032	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4250	0.049	2	119.4250	0.002	2	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1210	0.000	1	120.1210	0.000	1	118.9080	1.122	52	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.1680	1.015	2	118.1680	1.031	2	118.1680	1.031	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	121.4670	0.354	2	121.4670	0.125	2	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	120.5870	0.000	1	120.5870	0.000	1	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	119.5380	0.000	1	119.5380	0.000	1	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.8190	0.000	1	120.8190	0.000	1	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.2190	0.000	1	120.2190	0.000	1	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.5130	0.000	1	121.5365	0.064	4	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	121.1890	0.000	1	121.5365	0.064	4	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7220	0.058	2	121.5365	0.064	4	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	120.5350	0.000	1	120.5350	0.000	1	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	120.6740	0.000	1	121.0195	0.239	2	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	121.3650	0.000	1	121.0195	0.239	2	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	120.5260	0.000	1	120.5260	0.000	1	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|C<3>,3|H<1>}	121.1240	1.363	2	121.1240	1.859	2	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]RuO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ru<10>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]RuO)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|Ru<10>,1|C<4>,1|H<1>,4|C<3>}	121.8470	0.000	1	121.8470	0.000	1	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|N<3>,2|C<4>,5|C<3>}	119.8240	0.174	2	119.8240	0.030	2	120.8993	0.597	19	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(S){1|C<4>,2|C<3>,3|H<1>}	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6]CC)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	124.0410	0.000	1	124.0410	0.000	1	122.4710	4.930	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6a]2O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6a]2O[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(H){1|Si<4>,1|H<1>,2|C<3>}	120.9010	0.000	1	120.9010	0.000	1	122.4710	4.930	2	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,3|H<1>}	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	120.0244	2.331	223	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]N)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.5060	0.000	1	119.5060	0.000	1	119.5060	0.000	1	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	117.6470	0.000	1	117.6470	0.000	1	117.6470	0.000	1	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]){1|C<4>,2|H<1>,4|C<3>}	117.4115	0.449	2	117.4115	0.202	2	117.2047	0.144	4	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NN){1|C<4>,2|O<2>,4|C<3>}	116.9980	0.242	2	116.9980	0.058	2	117.2047	0.144	4	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]NiC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]NiC)(C[6a]C[6a]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	118.7135	0.118	2	118.7135	0.014	2	118.7135	0.014	2	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	116.1050	0.000	1	116.4787	0.111	3	116.4787	0.111	3	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	116.6655	0.108	2	116.4787	0.111	3	116.4787	0.111	3	117.4957	1.026	12	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C){1|C<4>,2|H<1>,4|C<3>}	118.9535	0.043	2	118.9535	0.002	2	118.9535	0.002	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	119.1410	0.571	4	119.1410	0.326	4	119.1410	0.326	4	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.8020	0.000	1	119.8020	0.000	1	119.8020	0.000	1	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	118.2575	0.144	2	118.2575	0.021	2	118.2575	0.021	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2){1|C<4>,2|H<1>,8|C<3>}	117.5395	0.472	2	117.5395	0.222	2	117.4065	0.278	4	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	117.2735	0.735	2	117.2735	0.540	2	117.4065	0.278	4	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	120.1920	0.133	2	120.1920	0.018	2	120.1920	0.018	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5,6])(C[5,6]N[5,6]C[5]){1|N<3>,3|C<4>,3|H<1>,5|C<3>}	120.0290	0.133	2	120.0290	0.018	2	120.0290	0.018	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	119.7200	0.000	1	119.7200	0.000	1	120.6456	2.449	5	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	120.6520	0.000	1	120.0607	0.364	3	120.6456	2.449	5	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	119.7650	0.451	2	120.0607	0.364	3	120.6456	2.449	5	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]Si[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	123.3260	0.000	1	123.3260	0.000	1	120.6456	2.449	5	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.1940	0.000	1	121.1940	0.000	1	121.3482	1.660	6	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	119.1050	0.000	1	119.1050	0.000	1	121.3482	1.660	6	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|C<4>,1|S<1>,3|H<1>,5|C<3>}	121.3540	0.324	2	121.3540	0.105	2	121.3482	1.660	6	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]Si[6]H){3|C<4>,3|H<1>,4|C<3>}	122.5410	0.542	2	122.5410	0.293	2	121.3482	1.660	6	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	117.3500	0.000	1	117.3500	0.000	1	118.5220	2.747	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	119.6940	0.000	1	119.6940	0.000	1	118.5220	2.747	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]O[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]O[6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|P<4>,3|H<1>,4|C<3>}	122.5210	0.000	1	122.4500	0.010	2	122.4500	0.010	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|H<1>,5|C<3>}	122.3790	0.000	1	122.4500	0.010	2	122.4500	0.010	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5a,6]OO)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5a,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5a,6]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2){1|S<2>,1|S<4>,3|H<1>,6|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<4>,2|H<1>,4|C<3>}	119.0490	1.086	2	119.0490	1.180	2	119.0490	1.180	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|Si<4>,4|H<1>,6|C<3>}	123.4585	1.032	2	123.4585	1.064	2	123.4585	1.064	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]Co2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]Co2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){2|Co<5>,1|C<4>,1|H<1>,2|C<3>}	120.5450	0.000	1	120.5450	0.000	1	120.0455	0.499	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,1|H<1>,3|C<3>}	119.5460	0.000	1	119.5460	0.000	1	120.0455	0.499	2	120.0737	3.096	42	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|O<2>,5|C<3>}	119.7460	0.076	2	119.7460	0.006	2	119.7460	0.006	2	119.6478	0.727	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.5280	0.000	1	120.5280	0.000	1	120.2560	0.148	2	119.6478	0.727	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	119.9840	0.000	1	119.9840	0.000	1	120.2560	0.148	2	119.6478	0.727	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)(PO3){1|C<4>,1|H<1>,2|C<3>}	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	119.6478	0.727	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,4|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,3|C<4>,4|H<1>}	120.5020	0.000	1	120.5020	0.000	1	121.4399	0.362	8	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<3>,3|C<4>,4|H<1>}	121.7390	0.139	2	121.7390	0.019	2	121.4399	0.362	8	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.7550	0.000	1	121.4115	0.236	2	121.4399	0.362	8	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.0680	0.000	1	121.4115	0.236	2	121.4399	0.362	8	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	122.4290	0.000	1	122.4290	0.000	1	121.4399	0.362	8	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	120.9680	0.000	1	120.9680	0.000	1	121.4399	0.362	8	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	121.3190	0.000	1	121.3190	0.000	1	121.4399	0.362	8	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	122.6035	0.364	2	122.6035	0.133	2	122.6035	0.133	2	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|C<4>,4|H<1>}	121.0360	0.000	1	121.0360	0.000	1	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	120.8045	1.039	2	120.8045	1.079	2	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.3940	0.000	1	120.3940	0.000	1	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.0160	0.223	2	121.1336	0.325	5	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.3720	0.000	1	121.1336	0.325	5	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.3620	0.000	1	121.1336	0.325	5	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.9020	0.000	1	121.1336	0.325	5	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.5385	0.633	2	121.5385	0.401	2	121.0713	0.384	11	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	121.7230	0.000	1	121.7230	0.000	1	121.7230	0.000	1	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O){1|C<4>,1|H<1>,4|C<3>}	120.3950	0.000	2	120.3950	0.000	2	120.3950	0.000	2	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	120.2940	0.000	1	120.2940	0.000	1	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	118.7790	0.000	1	118.7790	0.000	1	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	119.0000	0.000	1	119.0000	0.000	1	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,2|C<3>,3|H<1>}	121.8180	0.000	1	121.8180	0.000	1	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	121.1620	0.000	1	121.1620	0.000	1	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	119.4370	0.000	1	119.4370	0.000	1	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	121.1550	0.000	1	121.3150	0.051	2	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	121.4750	0.000	1	121.3150	0.051	2	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	119.6780	0.000	1	119.6780	0.000	1	120.3109	1.287	9	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]FF)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|C<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]FF)(O){1|H<1>,2|C<4>,3|C<3>}	118.4750	0.000	1	118.4750	0.000	1	118.4750	0.000	1	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O){1|Br<1>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O){2|C<4>,6|C<3>}	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	120.7519	1.627	38	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6]H){1|C<4>,1|H<1>,4|C<3>}	119.8460	0.000	1	119.8460	0.000	1	120.4126	0.267	5	120.2155	0.447	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CBrH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.3790	0.386	3	120.3790	0.149	3	120.4126	0.267	5	120.2155	0.447	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|H<1>,2|C<4>,3|C<3>}	121.0800	0.000	1	121.0800	0.000	1	120.4126	0.267	5	120.2155	0.447	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]2){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	120.2155	0.447	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	121.1790	0.000	1	121.1790	0.000	1	121.1790	0.000	1	120.8068	0.865	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	120.0985	0.052	2	120.0040	0.028	3	120.0040	0.028	3	120.8068	0.865	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<1>,5|C<4>}	119.8150	0.000	1	120.0040	0.028	3	120.0040	0.028	3	120.8068	0.865	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	122.0710	0.000	1	122.0710	0.000	1	121.8250	0.121	2	120.8068	0.865	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	121.5790	0.000	1	121.5790	0.000	1	121.8250	0.121	2	120.8068	0.865	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	3:5:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-5:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]OsO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Os<10>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]OsO)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<5>,1|H<1>,1|O<2>,2|C<3>}	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O){1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	120.3560	0.000	1	120.3560	0.000	1	120.3560	0.000	1	120.3560	0.000	1	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O)	C[6,6a](C[3,6]C[3,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]2)(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>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O){1|N<3>,2|C<3>,3|C<4>}	119.4840	0.255	2	119.4840	0.065	2	119.4840	0.065	2	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,3x6]C[3x6]C[5,6]O[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3430	0.000	1	122.3430	0.000	1	122.3430	0.000	1	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O){2|C<3>,2|C<4>,2|H<1>}	121.7910	0.000	1	121.7910	0.000	1	120.3875	3.940	2	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O)	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6]C[5,3x6]C[5,6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.9840	0.000	1	118.9840	0.000	1	120.3875	3.940	2	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	119.3750	0.000	1	119.3750	0.000	1	118.5043	0.767	3	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	118.0690	0.629	2	118.0690	0.396	2	118.5043	0.767	3	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){2|C<3>,2|C<4>,2|H<1>}	120.3940	0.000	1	120.3940	0.000	1	120.7230	0.216	2	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0520	0.000	1	121.0520	0.000	1	120.7230	0.216	2	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(H){1|H<1>,2|C<3>,2|C<4>}	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	120.1650	0.000	1	120.5980	0.375	2	120.4170	0.491	10	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	121.0310	0.000	1	120.5980	0.375	2	120.4170	0.491	10	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	119.7500	0.670	2	119.7500	0.449	2	120.4170	0.491	10	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	121.3720	0.000	1	121.3720	0.000	1	120.4170	0.491	10	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	120.0570	0.000	1	120.0570	0.000	1	120.4170	0.491	10	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	121.3800	0.000	1	121.3800	0.000	1	120.4170	0.491	10	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	120.2217	0.527	3	120.2217	0.278	3	120.4170	0.491	10	120.0540	1.513	21	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	122.5830	0.000	1	122.5830	0.000	1	122.6403	0.171	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	121.8930	0.000	1	122.6518	0.213	5	122.6403	0.171	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	122.8100	0.188	2	122.6518	0.213	5	122.6403	0.171	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	123.0880	0.000	1	122.6518	0.213	5	122.6403	0.171	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	122.6580	0.000	1	122.6518	0.213	5	122.6403	0.171	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|H<1>,3|C<4>,4|C<3>}	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[6,6]C[3]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.9460	0.000	1	120.9460	0.000	1	120.9460	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]C[5])(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5,6]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.2280	0.000	1	120.2280	0.000	1	120.2280	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	123.2290	0.000	1	123.5345	0.187	2	123.5345	0.187	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	123.8400	0.000	1	123.5345	0.187	2	123.5345	0.187	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[5,5,6]C[5,5,6,6]O[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	120.6205	0.155	2	120.6205	0.024	2	120.6205	0.024	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,5|C<3>}	119.3660	0.000	1	119.0600	0.187	2	119.0600	0.187	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,5|C<3>}	118.7540	0.000	1	119.0600	0.187	2	119.0600	0.187	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]C[5])(H){1|H<1>,2|C<4>,5|C<3>}	119.4980	0.000	1	119.4980	0.000	1	119.4980	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	122.9550	0.321	2	122.9550	0.103	2	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.0610	0.000	1	121.3335	0.149	2	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.6060	0.000	1	121.3335	0.149	2	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.8130	0.204	2	121.8130	0.041	2	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.0140	0.000	1	121.0140	0.000	1	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,5]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.8487	0.485	4	120.8487	0.235	4	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.0820	0.042	2	121.0820	0.002	2	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.4030	0.000	1	121.4030	0.000	1	121.4414	0.595	14	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	123.1300	0.233	2	123.1300	0.054	2	123.1300	0.054	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	123.6140	0.000	1	123.5550	0.007	2	123.5550	0.007	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	123.4960	0.000	1	123.5550	0.007	2	123.5550	0.007	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H){2|C<3>,3|C<4>,4|H<1>}	119.0840	0.341	2	119.0840	0.116	2	119.8335	0.372	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	120.2600	0.000	1	120.2082	0.020	4	119.8335	0.372	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	120.2210	0.225	2	120.2082	0.020	4	119.8335	0.372	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])(H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	120.1310	0.000	1	120.2082	0.020	4	119.8335	0.372	6	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	122.6560	0.000	1	122.6560	0.000	1	121.8375	1.340	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.0190	0.000	1	121.0190	0.000	1	121.8375	1.340	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.8415	0.923	2	120.8157	0.307	4	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.7900	0.256	2	120.8157	0.307	4	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	121.4370	0.160	4	121.4370	0.026	4	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.5490	0.207	4	120.5490	0.043	4	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.4780	0.363	2	120.6743	0.224	4	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	120.8705	0.622	2	120.6743	0.224	4	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.2900	0.165	2	119.2900	0.027	2	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	119.4345	0.486	2	119.4345	0.236	2	120.5677	0.590	20	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	B[5a,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6,6a](B[5a,6]O[5a]2O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	119.0575	0.138	2	119.0575	0.019	2	119.0575	0.019	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|H<1>,2|C<3>,2|C<4>}	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]H){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){1|F<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	120.2390	0.287	2	120.2390	0.082	2	120.1368	0.049	4	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.9270	0.000	1	119.9270	0.000	1	120.1368	0.049	4	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1420	0.000	1	120.1420	0.000	1	120.1368	0.049	4	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	121.1470	0.000	1	121.0713	0.046	6	120.9204	0.111	8	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	121.0562	0.237	5	121.0713	0.046	6	120.9204	0.111	8	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[3,6]C[4,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	120.4675	0.033	2	120.4675	0.001	2	120.9204	0.111	8	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.7550	0.000	1	119.7550	0.000	1	119.6100	0.042	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.4650	0.000	1	119.4650	0.000	1	119.6100	0.042	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[4,5,6]C[4,5]C[4,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[4,5,6]C[4,5]C[4,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[4,5,6]C[4,5]C[5,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[4,5,6]C[4,5]C[5,6]C[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[4,6]C[4,6]C[4]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1250	0.000	1	120.1250	0.000	1	119.8720	0.128	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[4,6]C[4,6]Si[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	C[6,6a](C[4,6]C[4,6]Si[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	119.6190	0.000	1	119.6190	0.000	1	119.8720	0.128	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[4,6]C[4,5]C[6]O[4])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.0816	0.186	5	121.0816	0.035	5	121.0816	0.035	5	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O){1|C<4>,1|H<1>,4|C<3>}	122.3320	0.000	1	122.3320	0.000	1	122.3320	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.3410	0.000	1	119.3410	0.000	1	119.7905	0.404	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.2400	0.000	1	120.2400	0.000	1	119.7905	0.404	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.7240	0.000	1	119.7240	0.000	1	119.5840	0.048	3	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.5140	0.259	2	119.5140	0.067	2	119.5840	0.048	3	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O)	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O){2|C<4>,3|C<3>,4|H<1>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	120.4200	0.000	1	120.7290	0.191	2	120.7290	0.191	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(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>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	121.0380	0.000	1	120.7290	0.191	2	120.7290	0.191	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6230	0.147	2	119.6230	0.022	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	118.7685	0.023	2	118.7685	0.001	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	119.8760	0.000	1	119.8760	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.7690	0.000	1	119.7690	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	120.0260	0.000	1	120.0260	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.7610	0.000	2	118.7610	0.000	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<10>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	119.9080	0.000	1	120.0850	0.034	3	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	120.1735	0.148	2	120.0850	0.034	3	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.2760	0.000	1	119.2760	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]Zr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Zr<13>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]Zr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	119.3970	0.000	1	119.4030	0.000	3	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]C[5]Zr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Zr<15>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]Zr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|Zr<15>,1|H<1>,2|C<3>,2|C<4>}	119.4060	0.021	2	119.4030	0.000	3	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.9430	0.000	1	119.9430	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3360	0.000	1	120.2205	0.027	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.1050	0.000	1	120.2205	0.027	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5870	0.000	1	120.5870	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.5900	0.000	1	119.7250	0.036	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.8600	0.000	1	119.7250	0.036	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.6210	0.000	1	119.6210	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	120.4480	0.000	1	120.4480	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0315	0.127	2	120.0315	0.016	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.9790	0.000	1	119.6535	0.117	6	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.5130	0.000	1	119.6535	0.117	6	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.4683	0.332	3	119.6535	0.117	6	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0240	0.000	1	119.6535	0.117	6	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.8320	0.000	1	119.8320	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.3330	0.208	2	119.3330	0.043	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.6140	0.000	1	119.6140	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.4176	0.673	8	120.4176	0.453	8	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.9860	0.000	1	118.9860	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.6850	0.000	1	119.6850	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.6990	0.000	1	119.0950	0.213	4	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	119.1610	0.000	1	119.0950	0.213	4	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.9090	0.000	1	119.0950	0.213	4	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.6110	0.000	1	119.0950	0.213	4	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]N[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|H<1>,2|C<3>,2|C<4>}	118.5285	0.169	2	118.5285	0.029	2	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.2090	0.000	1	119.2090	0.000	1	119.6785	0.398	53	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5]O[5]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|I<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(I){1|C<4>,1|H<1>,4|C<3>}	117.3420	0.491	2	117.3420	0.241	2	117.3420	0.241	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	121.0710	0.000	1	121.0710	0.000	1	120.7761	0.799	11	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	121.1370	0.000	1	121.1370	0.000	1	120.7761	0.799	11	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	120.8905	0.069	4	120.8905	0.005	4	120.7761	0.799	11	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	121.4320	1.041	2	121.4320	1.083	2	120.7761	0.799	11	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.1745	0.153	2	119.1745	0.024	2	120.7761	0.799	11	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	121.5540	0.000	1	121.5540	0.000	1	120.7761	0.799	11	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.3880	0.000	1	122.3880	0.000	1	121.5381	0.834	12	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(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>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	122.8320	0.000	1	122.8320	0.000	1	121.5381	0.834	12	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	121.9660	0.000	1	121.9660	0.000	1	121.5381	0.834	12	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	121.9910	0.000	1	121.9910	0.000	1	121.5381	0.834	12	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	120.2400	0.000	1	120.2400	0.000	1	121.5381	0.834	12	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	120.6470	0.000	1	120.6470	0.000	1	121.5381	0.834	12	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.3988	0.871	6	121.3988	0.759	6	121.5381	0.834	12	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	122.8820	0.000	1	122.8820	0.000	1	122.8190	0.009	3	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	122.7875	0.111	2	122.7875	0.012	2	122.8190	0.009	3	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.1310	0.000	1	119.1310	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	118.4590	0.000	1	118.4590	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.2350	0.000	1	119.2350	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6490	0.000	1	120.6490	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Cr<9>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Cr<9>,1|H<1>,2|C<3>,2|C<4>}	120.1397	0.287	3	120.1397	0.083	3	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.4870	0.000	1	119.4870	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]Rh)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Rh<10>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]Rh)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Rh<10>,1|H<1>,2|C<3>,2|C<4>}	120.4980	0.000	1	120.4980	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]Ru)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<10>,1|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]Ru)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	120.4440	0.000	1	120.4440	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.4350	0.000	1	119.4350	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.7495	0.566	2	118.7495	0.321	2	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	119.9360	0.000	1	119.9360	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	118.1410	0.354	2	118.1410	0.125	2	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	118.9330	0.000	1	118.4035	0.561	2	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	117.8740	0.000	1	118.4035	0.561	2	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.5900	0.000	1	119.5900	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	117.5830	0.000	1	117.5830	0.000	1	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|Cr<9>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]Cr)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|Cr<9>,1|O<2>,2|C<3>,2|C<4>}	119.9133	0.305	3	119.9133	0.093	3	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	119.4670	0.433	5	119.4670	0.188	5	119.3760	0.705	28	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I){1|C<4>,1|H<1>,5|C<3>}	117.3430	0.260	2	117.3430	0.068	2	117.3430	0.068	2	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|O<2>,2|C<3>,2|C<4>}	119.2830	0.000	1	119.2830	0.000	1	120.3261	1.285	9	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<4>,3|C<3>}	119.1160	0.000	1	119.1160	0.000	1	120.3261	1.285	9	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<3>,2|C<4>,2|H<1>}	121.1410	0.000	1	121.1410	0.000	1	120.3261	1.285	9	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	119.2730	0.027	2	119.2730	0.001	2	120.3261	1.285	9	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|H<1>,3|C<3>}	121.6065	0.979	2	121.6065	0.959	2	120.3261	1.285	9	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	121.0620	0.000	1	121.0620	0.000	1	120.3261	1.285	9	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|O<2>,3|C<3>}	120.5740	0.000	1	120.5740	0.000	1	120.3261	1.285	9	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	120.7310	0.800	2	120.7310	0.641	2	120.5556	0.253	10	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8360	0.000	1	120.8360	0.000	1	120.5556	0.253	10	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){2|C<3>,2|C<4>,2|H<1>}	121.1420	0.000	1	121.1420	0.000	1	120.5556	0.253	10	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	119.9255	0.179	2	119.9820	0.026	3	120.5556	0.253	10	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.0950	0.000	1	119.9820	0.026	3	120.5556	0.253	10	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.8540	0.000	1	120.8540	0.000	1	120.5556	0.253	10	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	120.6580	0.013	2	120.6580	0.000	2	120.5556	0.253	10	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](P[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](P[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<4>,3|C<3>}	123.3060	0.000	1	123.3060	0.000	1	123.7160	0.127	3	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](P[5,6]C[5,6a]C[5,6]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|S<1>,3|C<3>,3|H<1>}	C[6,6a](P[5,6]C[5,6a]C[5,6]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<4>,3|C<3>}	123.9000	0.000	1	123.9000	0.000	1	123.7160	0.127	3	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	P[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](P[5,6]C[5,6a]C[5,6]Se)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]P[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|Se<1>,3|C<3>,3|H<1>}	C[6,6a](P[5,6]C[5,6a]C[5,6]Se)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(H){1|H<1>,1|P<4>,3|C<3>}	123.9420	0.000	1	123.9420	0.000	1	123.7160	0.127	3	120.4218	1.717	231	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC){1|H<1>,2|C<4>,3|C<3>}	118.8270	0.234	4	118.8270	0.055	4	118.8270	0.055	4	119.1594	0.593	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N)	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]N[6]N){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[3,6]C[3]C[6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	119.1594	0.593	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,3x6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,6|H<1>}	119.7830	0.000	1	119.7830	0.000	1	119.7830	0.000	1	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,4|H<1>}	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,2|C<2>,3|H<1>,6|C<3>}	120.8667	0.199	3	120.7625	0.070	4	120.7625	0.070	4	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	120.4500	0.000	1	120.7625	0.070	4	120.7625	0.070	4	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](P[6]C[6,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]P[6])(C[6]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,7|C<3>}	C[6,6a](P[6]C[6,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	122.8470	0.000	1	122.8470	0.000	1	122.8470	0.000	1	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	120.7280	0.000	1	120.7280	0.000	1	120.7280	0.000	1	120.5794	0.915	10	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O){1|H<1>,2|C<3>,4|C<4>}	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,3|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	120.7350	0.000	1	120.7350	0.000	1	120.6415	0.017	2	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	120.5480	0.000	1	120.5480	0.000	1	120.6415	0.017	2	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	C[6,6a](C[5,6]O[5,6]O[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	120.3690	0.000	2	120.3690	0.000	2	120.3690	0.000	2	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[3,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[3,5,6]C[3,5]C[5,6]O[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	121.3930	0.324	2	121.3930	0.105	2	121.3930	0.105	2	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O){1|H<1>,2|C<4>,3|C<3>}	121.3040	0.000	1	121.3040	0.000	1	121.5125	0.484	4	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	122.5320	0.000	1	122.5320	0.000	1	121.5125	0.484	4	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9670	0.000	1	120.9670	0.000	1	121.5125	0.484	4	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2470	0.000	1	121.2470	0.000	1	121.5125	0.484	4	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	121.7630	0.000	1	121.7630	0.000	1	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3510	0.000	1	118.3510	0.000	1	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4430	0.000	1	120.4430	0.000	1	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	121.0927	0.371	3	121.0557	0.097	4	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	120.9450	0.000	1	121.0557	0.097	4	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,6|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O){1|O<2>,2|C<3>,3|C<4>}	120.5480	0.000	1	120.5480	0.000	1	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0430	0.000	1	120.3913	1.040	7	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2827	1.072	6	120.3913	1.040	7	120.5378	1.004	15	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8148	0.394	4	120.8148	0.155	4	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.2430	0.000	1	120.2430	0.000	1	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	120.7910	0.000	1	120.7910	0.000	1	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){2|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	121.3940	0.000	1	121.3940	0.000	1	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	121.9460	0.000	1	121.2922	0.381	5	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	120.6725	0.053	2	121.2922	0.381	5	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	121.8620	0.000	1	121.2922	0.381	5	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	121.3080	0.000	1	121.2922	0.381	5	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	120.9010	0.000	1	120.9010	0.000	1	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8990	0.000	1	120.8990	0.000	1	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8765	0.639	4	120.8765	0.408	4	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	119.8790	0.000	1	119.8790	0.000	1	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	118.4500	0.000	1	118.4500	0.000	1	120.7891	0.605	20	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.3475	0.812	2	121.3475	0.660	2	121.3475	0.660	2	120.7250	0.819	52	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]C)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.8890	0.000	1	115.8890	0.000	1	117.9680	0.764	13	118.2062	1.500	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.3380	0.000	1	119.3380	0.000	1	117.9680	0.764	13	118.2062	1.500	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	119.5410	0.000	1	119.5410	0.000	1	117.9680	0.764	13	118.2062	1.500	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.8816	0.217	10	117.8816	0.047	10	117.9680	0.764	13	118.2062	1.500	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	121.3030	0.000	1	121.3030	0.000	1	121.3030	0.000	1	118.2062	1.500	14	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	C[6,6a](C[4,6]C[4,4,6]C[4]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[4,6]C[4,4,6]C[4]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	121.9900	0.526	2	121.9900	0.277	2	121.9900	0.277	2	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	119.0660	0.000	1	119.0660	0.000	1	118.9390	0.032	2	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,4|C<4>,4|H<1>}	118.8120	0.000	1	118.8120	0.000	1	118.9390	0.032	2	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6]C[3,5,6]C[5,5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	120.9990	0.000	1	120.9990	0.000	1	119.4797	1.757	3	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	118.7200	0.226	2	118.7200	0.051	2	119.4797	1.757	3	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	119.2520	0.000	1	119.2520	0.000	1	119.2520	0.000	1	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	121.3960	0.096	2	121.0063	0.142	6	120.4147	0.539	16	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	120.8115	0.287	4	121.0063	0.142	6	120.4147	0.539	16	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	120.9260	0.432	3	120.9260	0.187	3	120.4147	0.539	16	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	119.8845	0.094	4	119.8845	0.009	4	120.4147	0.539	16	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	119.5280	0.000	1	119.5280	0.000	1	120.4147	0.539	16	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	119.3770	0.171	2	119.3770	0.029	2	120.4147	0.539	16	120.1583	1.117	26	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,3|H<1>,4|C<3>}	119.7308	0.381	4	119.7308	0.145	4	119.7308	0.145	4	119.7308	0.145	4	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Ir)(C[6]C[6,6]N)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Ir)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Ir)(C[6]C[6,6]N){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Ir){1|C<4>,2|H<1>,4|C<3>}	122.6020	0.000	1	122.6020	0.000	1	122.1170	0.470	2	122.1170	0.470	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Pd)(C[6]C[6,6]N)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Pd)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Pd)(C[6]C[6,6]N){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NC[6a]Pd){1|C<4>,2|H<1>,4|C<3>}	121.6320	0.000	1	121.6320	0.000	1	122.1170	0.470	2	122.1170	0.470	2	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[6]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<6>,3|B<6>,3|H<1>}	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,5|B<6>,7|H<1>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	121.0305	1.022	2	121.0305	1.044	2	121.0305	1.044	2	122.9368	3.338	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|F<1>,1|N<3>,1|O<1>,4|B<6>,5|H<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|F<1>,2|C<3>,4|B<6>}	123.8610	0.000	1	123.8610	0.000	1	124.2077	0.098	3	122.9368	3.338	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|N<3>,1|O<1>,1|O<2>,4|B<6>,5|H<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	124.4700	0.000	1	124.3810	0.016	2	124.2077	0.098	3	122.9368	3.338	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|N<3>,1|O<1>,4|B<6>,6|H<1>}	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	124.2920	0.000	1	124.3810	0.016	2	124.2077	0.098	3	122.9368	3.338	5	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:Si-4:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,1|F<1>,2|C<3>,4|B<6>,5|H<1>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	124.3810	0.000	1	124.3648	0.460	4	124.3648	0.460	4	123.5197	2.061	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:Si-4:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,1|O<2>,2|C<3>,4|B<6>,5|H<1>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	125.2570	0.000	1	124.3648	0.460	4	124.3648	0.460	4	123.5197	2.061	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:Si-4:	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H)	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6,6a](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,6x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,4|B<6>,6|H<1>}	C[6](C[5,6]C[5x3,6x5,21x6]C[5])(C[6,6a]C[6,6a]C[6a])(SiC3){1|C<4>,1|C<6>,2|C<3>,3|H<1>,4|B<6>}	123.9105	0.414	2	124.3648	0.460	4	124.3648	0.460	4	123.5197	2.061	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	122.2500	0.000	1	122.2500	0.000	1	121.8295	0.354	2	123.5197	2.061	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	C[6]	3:3:3:	6:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[6]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	121.4090	0.000	1	121.4090	0.000	1	121.8295	0.354	2	123.5197	2.061	6	118.6572	3.130	13600	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|O<1>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,1|P<3>,3|C<3>}	123.0300	0.000	1	123.0300	0.000	1	123.0300	0.000	1	123.0300	0.000	1	121.2567	2.189	4	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|N<3>,1|O<1>,3|C<3>}	120.1990	0.000	1	120.1990	0.000	1	120.1990	0.000	1	120.1990	0.000	1	121.2567	2.189	4	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	120.8990	2.048	2	121.2567	2.189	4	118.7425	3.096	14840
643	643	762	6:SP2_SP2_SP2	C[6,6a]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	120.8990	2.048	2	121.2567	2.189	4	118.7425	3.096	14840